6-Chloro-5-fluorobenzimidazole-2-thiol
TL;DR: 6-Chloro-5-fluorobenzimidazole-2-thiol (CAS 101337-92-2) is a chemical compound with molecular formula C7H4ClFN2S and molecular weight 201.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione
Also Known As: 6-chloro-5-fluorobenzimidazole-2-thiol, timtec-bb sbb003521, Maybridge1_000882, buttpark 81\03-18, 5-Chloro-6-fluoro-1H-benzo[d]imidazole-2(3H)-thione
| Molecular Formula | C7H4ClFN2S |
|---|---|
| Molecular Weight | 201.98 g/mol |
| LogP | 3.01799 |
| Topological Polar Surface Area | 31.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.97678 |
| Heavy Atoms | 12 |
| Complexity | 445.6023 |
Chemical Identifiers
| CAS Number | 101337-92-2 |
|---|---|
| SMILES | C1=C2C(=CC(=C1F)Cl)NC(=S)N2 |
Product Overview
6-Chloro-5-fluorobenzimidazole-2-thiol (CAS 101337-92-2), with molecular formula C7H4ClFN2S and molecular weight 201.98 g/mol. IUPAC: 5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione.
Chemical Property Profile of 6-Chloro-5-fluorobenzimidazole-2-thiol
Property Insights of 6-Chloro-5-fluorobenzimidazole-2-thiol
The XLogP value of 3.01799 indicates that 6-Chloro-5-fluorobenzimidazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.58 Ų, 6-Chloro-5-fluorobenzimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-5-fluorobenzimidazole-2-thiol has 2 hydrogen bond donor(s) and 1 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 6-Chloro-5-fluorobenzimidazole-2-thiol?
The CAS number of 6-Chloro-5-fluorobenzimidazole-2-thiol is 101337-92-2.
What is the molecular formula of 6-Chloro-5-fluorobenzimidazole-2-thiol?
The molecular formula of 6-Chloro-5-fluorobenzimidazole-2-thiol is C7H4ClFN2S.
What is the molecular weight of 6-Chloro-5-fluorobenzimidazole-2-thiol?
The molecular weight of 6-Chloro-5-fluorobenzimidazole-2-thiol is 201.98 g/mol.
Where can I buy 6-Chloro-5-fluorobenzimidazole-2-thiol?
You can request a quote for 6-Chloro-5-fluorobenzimidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-5-fluorobenzimidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-5-fluorobenzimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.