| Weight | 259.33 g/mol |
|---|---|
| Formula | C14H13NO2S |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 2 |
| Rotatable Bonds | 5 |
2-[(2-phenylethyl)thio]nicotinic acid (496775-95-2)
496775-95-2
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- Sigma-Aldrich - Search for 2-[(2-phenylethyl)thio]nicotinic acid
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 496775-95-2
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SMILESC1=CC=C(C=C1)CCSC2=C(C=CC=N2)C(=O)O
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InChIKeyUZERZZRWECLIKE-UHFFFAOYSA-N
- Pubchem - 2-[(2-phenylethyl)thio]nicotinic acid
- Wikipedia - 2-(2-phenylethylthio)-3-pyridinecarboxylic acid
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 331.86 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 414.99 C | EPI Suite |
| Density | 1.28 g/cm3 | EPA T.E.S.T. |
| Flash Point | 195.45 C | EPA T.E.S.T. |
| Melting Point | 164.18 C | EPI Suite |
| Water Solubility | 216.4 mg/L | EPA T.E.S.T. |
| Water Solubility | 11.073 mg/L | EPI Suite |
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2-[(2-phenylethyl)thio]nicotinic acid
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