AC1LEVEM
2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: Oprea1_257182|Oprea1_363375|BAS 00687747|2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile|AG-690/37099130|SR-01000440564-1|F0745-0425|2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile|2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile|2-(2,5-Dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonitrile|2-(2,5-dimethylpyrrolyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
| Molecular Formula | C15H16N2S |
|---|---|
| Molecular Weight | 256.10342 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.10342 |
| Monoisotopic Mass | 256.10342 |
| Heavy Atoms | 18 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 302575-66-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(C3=C(S2)CCCC3)C#N)C |
| InChIKey | QOWIPZWEXCPCKF-UHFFFAOYSA-N |
Product Overview
AC1LEVEM (CAS 302575-66-2), with molecular formula C15H16N2S and molecular weight 256.10342 g/mol. IUPAC: 2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
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