1h-Benzimidazole-1-ethanethioamide
TL;DR: 1h-Benzimidazole-1-ethanethioamide (CAS 54980-99-3) is a chemical compound with molecular formula C9H9N3S and molecular weight 191.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzimidazol-1-yl)ethanethioamide
Also Known As: 1h-benzimidazole-1-ethanethioamide, 2-(benzimidazol-1-yl)ethanethioamide, 2-benzoimidazol-1-ylethanethioamide, 1H-BENZO[D]IMIDAZOLE-1-ETHANETHIOAMIDE, 2-(1H-benzimidazol-1-yl)ethanethioamide
| Molecular Formula | C9H9N3S |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 1.3224 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05171 |
| Heavy Atoms | 13 |
| Complexity | 446.81146 |
Chemical Identifiers
| CAS Number | 54980-99-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2CC(=S)N |
Product Overview
1h-Benzimidazole-1-ethanethioamide (CAS 54980-99-3), with molecular formula C9H9N3S and molecular weight 191.05 g/mol. IUPAC: 2-(benzimidazol-1-yl)ethanethioamide.
Chemical Property Profile of 1h-Benzimidazole-1-ethanethioamide
Property Insights of 1h-Benzimidazole-1-ethanethioamide
The XLogP value of 1.3224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1h-Benzimidazole-1-ethanethioamide. With a topological polar surface area (TPSA) of 43.84 Ų, 1h-Benzimidazole-1-ethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1h-Benzimidazole-1-ethanethioamide 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?
The CAS number of 1h-Benzimidazole-1-ethanethioamide is 54980-99-3.
What is the molecular formula of 1h-Benzimidazole-1-ethanethioamide?
The molecular formula of 1h-Benzimidazole-1-ethanethioamide is C9H9N3S.
What is the molecular weight of 1h-Benzimidazole-1-ethanethioamide?
The molecular weight of 1h-Benzimidazole-1-ethanethioamide is 191.05 g/mol.
Where can I buy 1h-Benzimidazole-1-ethanethioamide?
You can request a quote for 1h-Benzimidazole-1-ethanethioamide 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?
Yes, KEHONG BIO provides custom synthesis services for 1h-Benzimidazole-1-ethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.