5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol
TL;DR: 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol (CAS 790271-30-6) is a chemical compound with molecular formula C10H11ClN2S and molecular weight 226.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-propyl-1H-benzimidazole-2-thione
Also Known As: 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol, 5-chloro-1-propyl-1H-benzimidazole-2-thiol, 6-chloro-3-propyl-1H-benzimidazole-2-thione, 5-chloro-1-propyl-3H-1,3-benzodiazole-2-thione, 5-Chloro-1-propyl-1,3-dihydro-2H-benzimidazole-2-thione
| Molecular Formula | C10H11ClN2S |
|---|---|
| Molecular Weight | 226.03 g/mol |
| LogP | 3.76229 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.03314 |
| Heavy Atoms | 14 |
| Complexity | 512.30664 |
Chemical Identifiers
| CAS Number | 790271-30-6 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C=C2)Cl)NC1=S |
Product Overview
5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol (CAS 790271-30-6), with molecular formula C10H11ClN2S and molecular weight 226.03 g/mol. IUPAC: 6-chloro-3-propyl-1H-benzimidazole-2-thione.
Chemical Property Profile of 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol
Property Insights of 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol
The XLogP value of 3.76229 indicates that 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.72 Ų, 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol has 1 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 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol?
The CAS number of 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol is 790271-30-6.
What is the molecular formula of 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol?
The molecular formula of 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol is C10H11ClN2S.
What is the molecular weight of 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol?
The molecular weight of 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol is 226.03 g/mol.
Where can I buy 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol?
You can request a quote for 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.