| Weight | 207.254 g/mol |
|---|---|
| Formula | C10H9NO2S |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 2 |
| Rotatable Bonds | 3 |
3-(1,3-benzothiazol-2-yl)propanoic acid (29198-86-5)
29198-86-5
"What do you need help with?"
LabBot
- Crystal structure of 3-{5-[(2-chlorophenyl)carbonyl]-2-oxo-1,3- benzothiazol-3(2H)-yl}propanoic acid, C17H12ClNO4S (Zeitschrift Fur Kristallographie-new Crystal Structures, 2010)
- 3-(5-CHLORO-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-3-YL) PROPANOIC ACID DERIVATIVES AND THEIR USE AS KMO INHIBITORS (2016)
-
Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 29198-86-5
-
SMILESC1=CC=C2C(=C1)N=C(S2)CCC(=O)O
-
InChIKeyWHNQTHDJEZTVHS-UHFFFAOYSA-N
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Alternate Names
Estimated Properties
| Boiling Point | 324.01 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 374.2 C | EPI Suite |
| Density | 1.4 g/cm3 | EPA T.E.S.T. |
| Flash Point | 210.32 C | EPA T.E.S.T. |
| Melting Point | 146.52 C | EPI Suite |
| Water Solubility | 163.83 mg/L | EPA T.E.S.T. |
| Water Solubility | 914.83 mg/L | EPI Suite |
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