Benzyl Chloromethyl Sulfide
TL;DR: Benzyl Chloromethyl Sulfide (CAS 3970-13-6) is a chemical compound with molecular formula C8H9ClS and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethylsulfanylmethylbenzene
Also Known As: Benzyl chloromethyl sulfide, Benzyl(chloromethyl)sulfane, chloromethylsulfanylmethylbenzene, C(SCCl)c1ccccc1, {[(Chloromethyl)thio]methyl}benzene
| Molecular Formula | C8H9ClS |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.01135 |
| Heavy Atoms | 10 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 3970-13-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCCl |
| InChIKey | UMFDSFPDTLREFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl Chloromethyl Sulfide (CAS 3970-13-6), with molecular formula C8H9ClS and molecular weight 172.01 g/mol. IUPAC: chloromethylsulfanylmethylbenzene.
Chemical Property Profile of Benzyl Chloromethyl Sulfide
Property Insights of Benzyl Chloromethyl Sulfide
The XLogP value of 3.1 indicates that Benzyl Chloromethyl Sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzyl Chloromethyl Sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl Chloromethyl 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 Benzyl Chloromethyl Sulfide?
The CAS number of Benzyl Chloromethyl Sulfide is 3970-13-6.
What is the molecular formula of Benzyl Chloromethyl Sulfide?
The molecular formula of Benzyl Chloromethyl Sulfide is C8H9ClS.
What is the molecular weight of Benzyl Chloromethyl Sulfide?
The molecular weight of Benzyl Chloromethyl Sulfide is 172.01 g/mol.
Where can I buy Benzyl Chloromethyl Sulfide?
You can request a quote for Benzyl Chloromethyl Sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl Chloromethyl Sulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl Chloromethyl Sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.