4,5,6,7-Tetrahydro-2-(1H-pyrrol-1-yl)benzo(b)thiophene-3-carboxylic acid
2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: 2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid|TimTec1_008331|Oprea1_624451|Oprea1_672714|8627AD|BAS 01022392|MLS-0281825.0001|2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid|benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(1H-pyrrol-1-yl)-|2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid|2-Pyrrol-1-yl-4,5,6,7-tetrahydro-benzo[b]-thiophene-3-carboxylic acid|K-6786|AG-690/11959042|AH-262/01716049
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.0667 g/mol |
| LogP | 3.1158 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.0667 |
| Monoisotopic Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 554.2365 |
Chemical Identifiers
| CAS Number | 26327-75-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)O |
Product Overview
4,5,6,7-Tetrahydro-2-(1H-pyrrol-1-yl)benzo(b)thiophene-3-carboxylic acid (CAS 26327-75-3), with molecular formula C13H13NO2S and molecular weight 247.0667 g/mol. IUPAC: 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.