TL;DR: 2-{[1-(5-chloro-2-thienyl)ethylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile (CAS 312275-14-2) is a chemical compound with molecular formula C14H11ClN2S2 and molecular weight 306.00522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Also Known As: 2-{[1-(5-chloro-2-thienyl)ethylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile, 2-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile, (E)-2-((1-(5-chlorothiophen-2-yl)ethylidene)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile, 2-[(E)-[1-(5-CHLOROTHIOPHEN-2-YL)ETHYLIDENE]AMINO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBONITRILE, 2-{[(1E)-1-(5-chlorothiophen-2-yl)ethylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
| Molecular Formula | C14H11ClN2S2 |
| Molecular Weight | 306.00522 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 92.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.00522 Da |
| Heavy Atoms | 19 |
| Complexity | 430.0 |
| SMILES | C/C(=N\C1=C(C2=C(S1)CCC2)C#N)/C3=CC=C(S3)Cl |
| InChIKey | RESIHUPWICXWOF-CAOOACKPSA-N |
The XLogP value of 4.8 indicates that 2-{[1-(5-chloro-2-thienyl)ethylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[1-(5-chloro-2-thienyl)ethylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-{[1-(5-chloro-2-thienyl)ethylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{[1-(5-chloro-2-thienyl)ethylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile is 312275-14-2.
The molecular formula of 2-{[1-(5-chloro-2-thienyl)ethylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile is C14H11ClN2S2.
The molecular weight of 2-{[1-(5-chloro-2-thienyl)ethylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile is 306.00522 g/mol.
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