Anodyne| 3-Thiotoluene | |
|---|---|
 | |
| Molecular structure via molpic based on CDK |
| Physical properties [] | |
|---|---|
| Molecular mass | 98.17 g/mol [1] |
| Melting point | -69 °C [1] |
| Boiling point | 115.00 °C [1] |
| Solubility | 0.4 mg/mL at 25 °C [1] |
| Predicted LogP | 2.3 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C5H6S [1] |
| IUPAC name | 3-methylthiophene [1] |
| SMILES | CC1=CSC=C1 [1] |
| InChI | InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3 [1] |
| InChIKey | QENGPZGAWFQWCZ-UHFFFAOYSA-N [1] |
| Toxicity [] | |
|---|---|
| LD50 | Mouse: - oral: 1800 mg/kg |
| LC50 | Mouse: - inhalation: 18 gm/m3/2H Mammal (species unspecified): - inhalation: 18 gm/m3 |
3-Methylthiophene
3-Methylthiophene (also known as Thiophene, 3-methyl-, 3-Thiotolene, β-Methylthiophene, 3-methyl-thiophene, Methyl-3-thiophene, CCRIS 2937, P3MT, b-Thiotolene, 3-methyl thiophene or 3-Thienylmethane)
Chemistry
Stereochemistry []
3-Methylthiophene is a achiral mixture
See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 12024, 3-Methylthiophene. Accessed October 2, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/12024
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. 3-Methylthiophene. UNII: FK9ID0X5QV. Global Substance Registration System. Accessed October 2, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FK9ID0X5QV