2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester
methyl 3-isocyanatosulfonylthiophene-2-carboxylate
Also Known As: 2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester|Methyl 3-(isocyanatosulfonyl)-2-thiophenecarboxylate|EC 410-550-7|methyl 3-isocyanatosulfonylthiophene-2-carboxylate|2-carbomethoxy-3-thiophenesulfonylisocyanate|2-carbomethoxythiophene-3-sulfonyl isocyanate|2-methoxycarbonyl-3-thienylsulfonylisocyanate|J3.782.119E|2-methoxycarbonyl-3-thiophenesulfonylisocyanate|methyl 3-(isocyanatosulfonyl)thiophene-2-carboxylate|2-methoxycarbonyl-3-thiophene-sulfonylisocyanate|2-methoxycarbonyl-3-thiophenesulfonyl isocyanate|Methyl 3-isocyanatosulfonyl-2-thiophenecarboxylate|methyl 3-isocyanatosulfonyl-2-thiophene-carboxylate|Methyl 3-[(oxomethylidene)sulfamoyl]thiophene-2-carboxylate
| Molecular Formula | C7H5NO5S2 |
|---|---|
| Molecular Weight | 246.9609 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.9609 |
| Monoisotopic Mass | 246.9609 |
| Heavy Atoms | 15 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 79277-18-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)S(=O)(=O)N=C=O |
| InChIKey | VJQINSVXSJNRLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester (CAS 79277-18-2), with molecular formula C7H5NO5S2 and molecular weight 246.9609 g/mol. IUPAC: methyl 3-isocyanatosulfonylthiophene-2-carboxylate.