MolPort-000-918-180
2-[(E)-(2-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: MolPort-000-918-180|CCG-7906|BAS 00414429|BIM-0019939.P001|2-{[(E)-(2-chlorophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile|2-[(E)-(2-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile|2-[(2-Chlorobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene- 3-carbonitrile|2-[(E)-[(2-CHLOROPHENYL)METHYLIDENE]AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE|2-{(E)-[(2-Chlorophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C16H13ClN2S |
|---|---|
| Molecular Weight | 300.0488 g/mol |
| LogP | 4.90258 |
| Topological Polar Surface Area | 36.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.0488 |
| Monoisotopic Mass | 300.0488 |
| Heavy Atoms | 20 |
| Complexity | 709.7523 |
Chemical Identifiers
| CAS Number | 5380-99-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)/N=C/C3=CC=CC=C3Cl)C#N |
Product Overview
MolPort-000-918-180 (CAS 5380-99-4), with molecular formula C16H13ClN2S and molecular weight 300.0488 g/mol. IUPAC: 2-[(E)-(2-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.