Methyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_522481|Oprea1_563933|KS-00004CDE|BAS 01219149|AG-690/09008026|methyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|SR-01000368735-1|methyl 2-(propanoylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-(propionylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(propanylamino)-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate|METHYL 2-PROPANAMIDO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09293 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.09293 |
| Monoisotopic Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 328024-06-2 |
|---|---|
| SMILES | CCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC |
| InChIKey | FISAWECSZNJEOJ-UHFFFAOYSA-N |
Product Overview
Methyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 328024-06-2), with molecular formula C13H17NO3S and molecular weight 267.09293 g/mol. IUPAC: methyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.