Benzene, 1-chloro-3-(phenylthio)-
TL;DR: Benzene, 1-chloro-3-(phenylthio)- (CAS 38700-88-8) is a chemical compound with molecular formula C12H9ClS and molecular weight 220.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-phenylsulfanylbenzene
Also Known As: m-Chlorophenyl phenyl sulfide, 3-Chlorophenyl phenyl sulfide, Benzene, 1-chloro-3-(phenylthio)-, 3-Chloro-, 1-chloro-3-phenylsulfanylbenzene
| Molecular Formula | C12H9ClS |
|---|---|
| Molecular Weight | 220.01 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.01135 |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 38700-88-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC(=CC=C2)Cl |
| InChIKey | YNJLAXHIFOICPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-chloro-3-(phenylthio)- (CAS 38700-88-8), with molecular formula C12H9ClS and molecular weight 220.01 g/mol. IUPAC: 1-chloro-3-phenylsulfanylbenzene.
Chemical Property Profile of Benzene, 1-chloro-3-(phenylthio)-
Property Insights of Benzene, 1-chloro-3-(phenylthio)-
The XLogP value of 4.6 indicates that Benzene, 1-chloro-3-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, 1-chloro-3-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-3-(phenylthio)- 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 Benzene, 1-chloro-3-(phenylthio)-?
The CAS number of Benzene, 1-chloro-3-(phenylthio)- is 38700-88-8.
What is the molecular formula of Benzene, 1-chloro-3-(phenylthio)-?
The molecular formula of Benzene, 1-chloro-3-(phenylthio)- is C12H9ClS.
What is the molecular weight of Benzene, 1-chloro-3-(phenylthio)-?
The molecular weight of Benzene, 1-chloro-3-(phenylthio)- is 220.01 g/mol.
Where can I buy Benzene, 1-chloro-3-(phenylthio)-?
You can request a quote for Benzene, 1-chloro-3-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-3-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-3-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.