Anodyne| 2-Thiotoluene | |
|---|---|
 | |
| Molecular structure via molpic based on CDK |
| Physical properties [] | |
|---|---|
| Molecular mass | 98.17 g/mol [1] |
| Melting point | -63.4 °C [1] |
| Boiling point | 112.00 °C [1] |
| Solubility | 112.6 mg/L @ 25 °C (exp) [1] |
| Predicted LogP | 2.3 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C5H6S [1] |
| IUPAC name | 2-methylthiophene [1] |
| SMILES | CC1=CC=CS1 [1] |
| InChI | InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3 [1] |
| InChIKey | XQQBUAPQHNYYRS-UHFFFAOYSA-N [1] |
| Toxicity [] | |
|---|---|
| LD50 | Rat: - oral: 3200 mg/kg - intraperitoneal: 1 gm/kg Mouse: - oral: 1460 mg/kg |
| LC50 | Mouse: - inhalation: 11500 mg/m3/2H |
2-Methylthiophene
2-Methylthiophene (also known as Thiophene, 2-methyl-, α-Methylthiophene, CCRIS 2936, 2-Methylthiacyclopentadiene, 2-thiotolene, 2-methylthiophen, AI3-15911, Fema no. 4928, αMethylthiophene or Thiophene, 2methyl)
Chemistry
Stereochemistry []
2-Methylthiophene is a achiral mixture
See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 11126, 2-Methylthiophene. Accessed October 2, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/11126
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. 2-Methylthiophene. UNII: 7115JAP77A. Global Substance Registration System. Accessed October 2, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7115JAP77A