5-Chloro-2-mercapto-3-methyl benzofuran
TL;DR: 5-Chloro-2-mercapto-3-methyl benzofuran (CAS 463976-08-1) is a chemical compound with molecular formula C9H7ClOS and molecular weight 197.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-methyl-1-benzofuran-2-thiol
Also Known As: 5-chloro-2-mercapto-3-methylbenzofuran, 5-chloro-2-mercapto-3-methyl benzofuran, 5-Chloro-3-methyl-2-benzofuranthiol, 5-chloro-3-methyl-benzofuran-2-thiol, 5-chloro-3-methyl-1-benzofuran-2-thiol
| Molecular Formula | C9H7ClOS |
|---|---|
| Molecular Weight | 197.99 g/mol |
| LogP | 3.68332 |
| Topological Polar Surface Area | 13.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.99062 |
| Heavy Atoms | 12 |
| Complexity | 433.2663 |
Chemical Identifiers
| CAS Number | 463976-08-1 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C=C2)Cl)S |
Product Overview
5-Chloro-2-mercapto-3-methyl benzofuran (CAS 463976-08-1), with molecular formula C9H7ClOS and molecular weight 197.99 g/mol. IUPAC: 5-chloro-3-methyl-1-benzofuran-2-thiol.
Chemical Property Profile of 5-Chloro-2-mercapto-3-methyl benzofuran
Property Insights of 5-Chloro-2-mercapto-3-methyl benzofuran
The XLogP value of 3.68332 indicates that 5-Chloro-2-mercapto-3-methyl benzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.14 Ų, 5-Chloro-2-mercapto-3-methyl benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-mercapto-3-methyl benzofuran 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 5-Chloro-2-mercapto-3-methyl benzofuran?
The CAS number of 5-Chloro-2-mercapto-3-methyl benzofuran is 463976-08-1.
What is the molecular formula of 5-Chloro-2-mercapto-3-methyl benzofuran?
The molecular formula of 5-Chloro-2-mercapto-3-methyl benzofuran is C9H7ClOS.
What is the molecular weight of 5-Chloro-2-mercapto-3-methyl benzofuran?
The molecular weight of 5-Chloro-2-mercapto-3-methyl benzofuran is 197.99 g/mol.
Where can I buy 5-Chloro-2-mercapto-3-methyl benzofuran?
You can request a quote for 5-Chloro-2-mercapto-3-methyl benzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-mercapto-3-methyl benzofuran?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-mercapto-3-methyl benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.