Benzimidazol-2-ylmethanethiol
TL;DR: Benzimidazol-2-ylmethanethiol (CAS 4344-85-8) is a chemical compound with molecular formula C8H8N2S and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-benzimidazol-2-ylmethanethiol
Also Known As: 1H-Benzimidazol-2-ylmethanethiol, BZMT, 1H-Benzimidazole-2-methanethiol, (1H-benzo[d]imidazol-2-yl)methanethiol, 2-Mercaptomethylbenzimidazole
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 4344-85-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CS |
| InChIKey | XGIDEUICZZXBFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzimidazol-2-ylmethanethiol (CAS 4344-85-8), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: 1H-benzimidazol-2-ylmethanethiol.
Chemical Property Profile of Benzimidazol-2-ylmethanethiol
Property Insights of Benzimidazol-2-ylmethanethiol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzimidazol-2-ylmethanethiol. With a topological polar surface area (TPSA) of 29.7 Ų, Benzimidazol-2-ylmethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazol-2-ylmethanethiol has 2 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 Benzimidazol-2-ylmethanethiol?
The CAS number of Benzimidazol-2-ylmethanethiol is 4344-85-8.
What is the molecular formula of Benzimidazol-2-ylmethanethiol?
The molecular formula of Benzimidazol-2-ylmethanethiol is C8H8N2S.
What is the molecular weight of Benzimidazol-2-ylmethanethiol?
The molecular weight of Benzimidazol-2-ylmethanethiol is 164.04 g/mol.
Where can I buy Benzimidazol-2-ylmethanethiol?
You can request a quote for Benzimidazol-2-ylmethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazol-2-ylmethanethiol?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazol-2-ylmethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.