HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 588128Generated: October 23, 2026
3-Methylthiophene-2-carboxamide
3-Methyl-2-thiophenecarboxamide · 3-Methylthiophene-2-carboxamide · 2-Thiophenecarboxamide, 3-methyl- · 3-Methylthiophene-2-carboxamide ,99% · 2-Thiophenecarboxamide,3-methyl-(9CI) · 3-Methyl-thiophene-2-carboxylicacidaMide
https://huagongshe.com/en/chemical/588128
Identifiers & Physical Properties
| CAS No. | 76655-99-7 |
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| Molecular formula | C6H7NOS |
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| Average molar mass | 141.19 g/mol |
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| Monoisotopic mass | 141.02483484 g/mol |
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| SMILES | Cc1ccsc1C(N)=O |
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| InChIKey | QZDTWJRYMXQXBX-UHFFFAOYSA-N |
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| PubChem CID | 588128 |
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| EC No. | 677-813-8 |
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| DTXSID | DTXSID90343195 |
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Chemical & Physical Properties
| XLogP | 1.2 |
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| Topological polar surface area | 71.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 9 |
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| Formal charge | 0 |
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| Complexity | 126 |
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| Melting point | 122-124°C |
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| Boiling point | 269.3±28.0 °C(Predicted) |
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| Density | 1.239±0.06 g/cm3(Predicted) |
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| Storage conditions | 2-8°C(protect from light) |
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| pKa (acidity coefficient) | 15.85±0.50(Predicted) |
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| BRN | 116188 |
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| GHS pictogram | GHS06 |
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| Signal word | Danger |
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| GHS hazard statements | H301 |
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| GHS precautionary statements | P264-P270-P301+P310a-P321-P405-P501a |
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| Risk statements (R) | 22 |
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| Safety statements (S) | 22-36/37-36/37/39-26 |
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| UN transport number | 2811 |
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| Packing group | III |
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| Customs code | 29339900 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| UN transport number | 2811 |
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| Customs code | 29339900 |
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| Risk statements (R) | 22 |
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| Signal word | Danger |
|---|
| GHS pictogram | GHS06 |
|---|
| Safety statements (S) | 22-36/37-36/37/39-26 |
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| Packing group | III |
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| GHS hazard statements | H301 |
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| GHS precautionary statements | P264-P270-P301+P310a-P321-P405-P501a |
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Preparation & Synthesis
Preparation
3-Methyl-2-Thiophenecarboxamide synthesis: 1,2-Dichloroethane (280 mL), DMF (0.05 mL), 3-methyl-2-thiophenecarboxylic acid 5 (21.3 g, 0.149 mol), and SOCl2 (71.4 g, 43.8 mL, 0.6 mol) were heated at reflux temperature for 2 h with stirring. The solvent was then removed under vacuum to give 24 g of 3-methyl-2-thiophenecarbonyl chloride. This product was dissolved in 100 mL of CH2Cl2 and added to a solution of concentrated NH4OH (110 mL) in 300 mL CH2Cl2 with ice/salt bath cooling, at such a rate so as to maintain the reaction temperature below –5°C. The mixture was stirred for 20 min, separated, and the aqueous phase was extracted with another 200 mL of CH2Cl2. The combined organic layers were washed with water, then brine, and the solvent removed to give 21.2 g of 3-methyl-2-thiophenecarboxamide 15 as an off white solid, m.p. 123-124°C; 99.6% pure by GC area %; 1H NMR (CDCl3) 7.3 (d, 1H), 6.9 (1H), 5.8 (s, b), 2.5 ppm (s, 3H).
