1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl-
TL;DR: 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl- (CAS 79759-54-9) is a chemical compound with molecular formula C15H12ClN3OS and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)ethanethioamide
Also Known As: 2-Oxo-3-phenyl-5-chloro-benzimidazolin-1-yl-thioacetamide, 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl-, 2,3-Dihydro-5-chloro-2-oxo-3-phenyl-1H-benzimidazole-1-ethanethioamide, 2-(5-Chloro-2-oxo-3-phenyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanethioamide, 2-(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)ethanethioamide
| Molecular Formula | C15H12ClN3OS |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 2.7317 |
| Topological Polar Surface Area | 52.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.03897 |
| Heavy Atoms | 21 |
| Complexity | 883.06525 |
Chemical Identifiers
| CAS Number | 79759-54-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)N(C2=O)CC(=S)N |
Product Overview
1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl- (CAS 79759-54-9), with molecular formula C15H12ClN3OS and molecular weight 317.04 g/mol. IUPAC: 2-(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)ethanethioamide.
Chemical Property Profile of 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl-
Property Insights of 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl-
The XLogP value of 2.7317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl-. With a topological polar surface area (TPSA) of 52.95 Ų, 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl-?
The CAS number of 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl- is 79759-54-9.
What is the molecular formula of 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl-?
The molecular formula of 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl- is C15H12ClN3OS.
What is the molecular weight of 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl-?
The molecular weight of 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl- is 317.04 g/mol.
Where can I buy 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl-?
You can request a quote for 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-1-ethanethioamide, 2,3-dihydro-5-chloro-2-oxo-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.