| Weight | 99.158 g/mol |
|---|---|
| Formula | C4H5NS |
| Hydrogen Acceptors | 2 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 0 |
| Rotatable Bonds | 2 |
ALLYL ISOTHIOCYANATE (57-06-7, 8007-40-7)
allylsenevol
Score:
#168 in Biochemistry
,
#708 in Biology
,
#763 in Chemistry
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- Allyl isothiocyanate, a constituent of cruciferous vegetables, inhibits proliferation of human prostate cancer cells by causing G2/M arrest and inducing apoptosis (Carcinogenesis, 2003)
- Correlation of Fungicidal Activity of Brassica Species with Allyl Isothiocyanate Production in Macerated Leaf Tissue (Phytopathology, 1996)
- Preliminary Examination of Allyl Isothiocyanate Vapor for Food Preservation (Bioscience, Biotechnology, and Biochemistry, 1992)
- Antibacterial Mechanism of Allyl Isothiocyanate (Journal of Food Protection, 2000)
- Induction of Phase II Detoxification Enzymes in Rats by Plant-Derived Isothiocyanates: Comparison of Allyl Isothiocyanate with Sulforaphane and Related Compounds (Journal of Agricultural and Food Chemistry, 2004)
- Enzymatic inhibition by allyl isothiocyanate and factors affecting its antimicrobial action against Escherichia coli O157:H7 (International Journal of Food Microbiology, 2009)
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - H226: Flammable liquid and vapor
Warning Flammable liquids - Category 3 - H310: Fatal in contact with skin
Danger Acute toxicity, dermal - Category 1, 2 - H317: May cause an allergic skin reaction
Warning Sensitization, Skin - Category 1 - H400: Very toxic to aquatic life
Warning Hazardous to the aquatic environment, acute hazard - Category 1 - allylsenevol
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SMILESC=CCN=C=S
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InChIKeyZOJBYZNEUISWFT-UHFFFAOYSA-N
- Pubchem - ALLYL ISOTHIOCYANATE
- Wikipedia - allyl isothiocyanate
Allyl isothiocyanate (AITC) is the organosulfur compound with the formula CH2CHCH2NCS. This colorless oil is responsible for the pungent taste of mustard, radish, horseradish, and wasabi. This pungency and the lachrymatory effect of AITC are mediated through the TRPA1 and TRPV1 ion channels.
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Most-cited Publications
Areas of Application
Safety
Trends
Alternate Names
Estimated Properties
| Boiling Point | 149.08 C | EPA T.E.S.T. |
|---|---|---|
| Density | 0.98 g/cm3 | EPA T.E.S.T. |
| Flash Point | 44.99 C | EPA T.E.S.T. |
| Water Solubility | 801.34 mg/L | EPA T.E.S.T. |
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Similar Compounds
Ethyl isothiocyanate
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Methallyl isothiocyanate
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2-Chloro-3-isothiocyanatopropene
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Propyl isothiocyanate
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Isopropyl isothiocyanate
(2253-73-8)
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2-Bromoethyl isothiocyanate
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2-Chloroethyl isothiocyanate
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Propargyl isothiocyanate
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Isobutyl isothiocyanate
(591-82-2)
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Butyl isothiocyanate
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Allyl isocyanate
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1,3-Propylene diisothiocyanate
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1,4-Butane diisothiocyanate
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tert-Butyl isothiocyanate
(590-42-1)
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3-Methylbutyl isothiocyanate
(628-03-5)
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3-Chloropropyl isothiocyanate
(2799-72-6)
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2-Methoxyethyl isothiocyanate
(38663-85-3)
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3 suppliers
3-Bromopropyl isothiocyanate
(2799-73-7)
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Pentyl isothiocyanate
(629-12-9)
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Cyclopropyl isothiocyanate
(56601-42-4)
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METHYL ISOTHIOCYANATE
(556-61-6)
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7 safety hazards
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Hexyl isothiocyanate
(4404-45-9)
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1,6-Diisothiocyanatohexane
(5586-70-9)
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3 suppliers
2-Methylbutyl isothiocyanate
(4404-51-7)
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3-Methoxypropyl isothiocyanate
(17702-11-3)
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3 suppliers
Hexadecyl isothiocyanate
(4426-87-3)
2 alternate names
3 suppliers
Heptyl isothiocyanate
(4426-83-9)
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1,8-Octane diisothiocyanate
(56312-14-2)
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Octadecyl isothiocyanate
(2877-26-1)
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Tetradecyl isothiocyanate
(3224-48-4)
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Nonyl isothiocyanate
(4430-43-7)
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Decyl isothiocyanate
(24540-94-1)
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Dodecyl isothiocyanate
(1072-32-8)
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Octyl isothiocyanate
(4430-45-9)
2 alternate names
3 suppliers
ALLYLAMINE
(30551-89-4, 107-11-9)
2 alternate names
7 safety hazards
3 suppliers
3-Isothiocyanatopentane
(201224-89-7)
2 alternate names
3 suppliers
3-(Methylthio)propyl isothiocyanate
(505-79-3)
2 alternate names
3 suppliers
3-Methyl-2-butyl isothiocyanate
(201224-92-2)
2 alternate names
3 suppliers
27421-70-1
(27421-70-1)
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1-ethoxy-3-isothiocyanatopropane
(94231-77-3)
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2-Pentyl Isothiocyanate
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Allylhydrazine
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ETHYL ISOCYANATE
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109-82-0
(109-82-0)
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2,3-butadien-1-amine hydrochloride
(473742-53-9)
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N-Allylmethylamine
(627-37-2)
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2-Hexyl isothiocyanate
(5334-87-2)
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2,3-Dibromopropyl isothiocyanate
(51784-10-2)
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Isothiocyanatoacetaldehyde dimethyl acetal
(75052-04-9)
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(2-Isothiocyanatoethyl)cyclopentane
(24321-79-7)
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2-Methylallylamine
(2878-14-0)
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Propyl isocyanate
(110-78-1)
2 alternate names
3 suppliers
Cyclopentyl isothiocyanate
(33522-03-1)
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2-Heptyl isothiocyanate
(21663-51-4)
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2-Octyl isothiocyanate
(69626-80-8)
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3 suppliers
Methyl 2-isothiocyanatoacetate
(21055-37-8)
2 alternate names
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Cyclohexanemethyl isothiocyanate
(52395-66-1)
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Methyl 3-isothiocyanatopropionate
(18967-35-6)
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Diallylamine hydrochloride
(6147-66-6)
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N,N-Dimethylallylamine
(2155-94-4)
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Diallylamine
(124-02-7)
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5 safety hazards
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ACRYLAMIDE
(79-06-1, 122775-19-3, 9082-06-8, 9003-05-8, 79-06-1)
2 alternate names
5 safety hazards
3 suppliers
Isopropyl isocyanate
(1795-48-8)
2 alternate names
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Methoxymethyl isothiocyanate
(19900-84-6)
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Cyclododecyl isothiocyanate
(59037-64-8)
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Cyclohexyl isothiocyanate
(1122-82-3)
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7020-80-6
(7020-80-6)
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3-Pyrroline
(109-96-6)
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2-Chloroethyl isocyanate
(1943-83-5)
2 alternate names
3 suppliers
Oxazoline
(34728-17-1, 504-77-8)
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3 suppliers
1-Isocyanato-2-methylpropane
(1873-29-6)
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3 suppliers
Hydrazine, (2-methyl-2-propenyl)-
(146097-28-1)
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3 suppliers
1-Propene, 3-azido-
(821-13-6)
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n-allylformamide
(16250-37-6)
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Ethyl isothiocyanatoacetate
(24066-82-8)
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N,N'-Diisopropylcarbodiimide
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3 suppliers
N,N-Diethylallylamine
(5666-17-1)
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3 suppliers
tert-Octyl isothiocyanate
(17701-76-7)
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Ethyl 3-isothiocyanatopropionate
(17126-62-4)
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3 suppliers
methyl 4-isothiocyanatobutanoate
(62210-26-8)
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ALLYLTRIMETHYLAMMONIUM CHLORIDE
(1516-27-4)
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(2-ethyl-2-propen-1-yl)amine hydrochloride
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N-allyl-N-isopropylamine hydrobromide
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1-isocyanato-2-methoxyethane
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3-Chloropropyl isocyanate
(13010-19-0)
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Thioacetamide
(62-55-5)
2 alternate names
5 safety hazards
3 suppliers
Acetamidine hydrochloride
(124-42-5)
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isocyanatocyclopropane
(4747-72-2)
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TERT-BUTYL ISOCYANATE
(1609-86-5)
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MFCD11138143
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2-Isocyanatobutane
(15585-98-5)
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ALLYLTHIOUREA
(109-57-9)
2 alternate names
3 suppliers
2-Morpholinoethyl isothiocyanate
(63224-35-1)
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N,N'-Di-t-butylethanedialdimine
(24764-88-3, 30834-74-3)
2 alternate names
3 suppliers
3-Morpholinopropyl isothiocyanate
(32813-50-6)
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3 suppliers
pent-4-en-1-amine
(22537-07-1)
2 alternate names
3 suppliers
Ethyl 4-isothiocyanatobutanoate
(17126-65-7)
2 alternate names
3 suppliers
3-Phenylpropyl isothiocyanate
(2627-27-2)
2 alternate names
3 suppliers
N,N'-di-tert-Butylcarbodiimide
(691-24-7)
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ALLYL ISOTHIOCYANATE
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