| Weight | 297.379 g/mol |
|---|---|
| Formula | C17H15NO2S |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 3 |
| Rotatable Bonds | 5 |
[(1-benzyl-1H-indol-3-yl)thio]acetic acid (524035-97-0)
524035-97-0
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- Sigma-Aldrich - Search for [(1-benzyl-1H-indol-3-yl)thio]acetic acid
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 524035-97-0
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SMILESC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)O
-
InChIKeyAWNSSDYXGNZKMK-UHFFFAOYSA-N
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 415.99 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 471.15 C | EPI Suite |
| Density | 1.29 g/cm3 | EPA T.E.S.T. |
| Flash Point | 252.39 C | EPA T.E.S.T. |
| Melting Point | 199.12 C | EPI Suite |
| Water Solubility | 3.46 mg/L | EPA T.E.S.T. |
| Water Solubility | 2.5905 mg/L | EPI Suite |
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