2-Chlorophenyl methyl sulfide
TL;DR: 2-Chlorophenyl methyl sulfide (CAS 39718-00-8) is a chemical compound with molecular formula C7H7ClS and molecular weight 158.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-methylsulfanylbenzene
Also Known As: 2-Chlorothioanisole, chlorothioanisole, 2-chloro thioanisole, 2-Cpms, 2-Chlorophenyl methyl sulfide
| Molecular Formula | C7H7ClS |
|---|---|
| Molecular Weight | 158.00 g/mol |
| LogP | 3.0619 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.9957 |
| Heavy Atoms | 9 |
| Complexity | 197.86256 |
Chemical Identifiers
| CAS Number | 39718-00-8 |
|---|---|
| SMILES | CSC1=CC=CC=C1Cl |
Product Overview
2-Chlorophenyl methyl sulfide (CAS 39718-00-8), with molecular formula C7H7ClS and molecular weight 158.00 g/mol. IUPAC: 1-chloro-2-methylsulfanylbenzene.
Chemical Property Profile of 2-Chlorophenyl methyl sulfide
Property Insights of 2-Chlorophenyl methyl sulfide
The XLogP value of 3.0619 indicates that 2-Chlorophenyl methyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Chlorophenyl methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorophenyl methyl sulfide has 0 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 2-Chlorophenyl methyl sulfide?
The CAS number of 2-Chlorophenyl methyl sulfide is 39718-00-8.
What is the molecular formula of 2-Chlorophenyl methyl sulfide?
The molecular formula of 2-Chlorophenyl methyl sulfide is C7H7ClS.
What is the molecular weight of 2-Chlorophenyl methyl sulfide?
The molecular weight of 2-Chlorophenyl methyl sulfide is 158.00 g/mol.
Where can I buy 2-Chlorophenyl methyl sulfide?
You can request a quote for 2-Chlorophenyl methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorophenyl methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenyl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.