| Weight | 245.303 g/mol |
|---|---|
| Formula | C13H11NO2S |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 2 |
| Rotatable Bonds | 4 |
4-[(pyridin-2-ylthio)methyl]benzoic acid (82145-80-0)
82145-80-0
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 82145-80-0
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SMILESC1=CC=NC(=C1)SCC2=CC=C(C=C2)C(=O)O
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InChIKeyWVJPZRUUOGYPAV-UHFFFAOYSA-N
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 323.09 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 403.38 C | EPI Suite |
| Density | 1.31 g/cm3 | EPA T.E.S.T. |
| Flash Point | 205.72 C | EPA T.E.S.T. |
| Melting Point | 156.5 C | EPI Suite |
| Water Solubility | 143.6 mg/L | EPA T.E.S.T. |
| Water Solubility | 225.7 mg/L | EPI Suite |
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