| Weight | 184.216 g/mol |
|---|---|
| Formula | C8H8O3S |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 3 |
(5-acetyl-3-thienyl)acetic acid (41908-06-9)
41908-06-9
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 41908-06-9
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SMILESCC(=O)C1=CC(=CS1)CC(=O)O
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InChIKeyMJVYNWQVFSTJEY-UHFFFAOYSA-N
Suppliers
Safety
Alternate Names
Estimated Properties
| Boiling Point | 286.18 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 331.52 C | EPI Suite |
| Density | 1.29 g/cm3 | EPA T.E.S.T. |
| Flash Point | 132.71 C | EPA T.E.S.T. |
| Melting Point | 119.04 C | EPI Suite |
| Water Solubility | 2526.06 mg/L | EPA T.E.S.T. |
| Water Solubility | 64785 mg/L | EPI Suite |
External Links
Synthesis
Acetonitrile
+
Reactant
(Grignard carbonyl)
Reactant
+
dimethyl sulfide
(Corey-Kim oxidation of secondary alcohols)
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1-[4-(chloromethyl)-2-thienyl]ethanone
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1-{4-[(dimethylamino)methyl]-2-thienyl}ethanone
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5-propylthiophene-3-carbohydrazide
(438215-42-0)
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4-(pyrrolidin-1-ylmethyl)thiophene-2-carbaldehyde
(893745-81-8)
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4-ethyl-5-methylthiophene-3-carboxylic acid
(884497-34-1)
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(4,5,6,7-tetrahydro-1-benzothien-3-ylmethyl)amine hydrochloride
(1050509-07-3)
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(13781-67-4)
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(23229-72-3)
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ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate
(57773-41-8)
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(51527-18-5)
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5-butylthiophene-2-carbaldehyde
(98954-25-7)
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4-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde
(893745-85-2)
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17266-30-7
(17266-30-7)
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(5-acetyl-3-thienyl)acetic acid
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