Benzene, 1-chloro-4-(phenylthio)-
TL;DR: Benzene, 1-chloro-4-(phenylthio)- (CAS 13343-26-5) 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-4-phenylsulfanylbenzene
Also Known As: 4-Chloro diphenyl sulfide, 4-Chlorodiphenyl sulfide, p-Chlorodiphenyl sulfide, Benzene, 1-chloro-4-(phenylthio)-, 1-chloro-4-phenylsulfanylbenzene
| Molecular Formula | C12H9ClS |
|---|---|
| Molecular Weight | 220.01 g/mol |
| LogP | 5.1 |
| 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 | 158.0 |
Chemical Identifiers
| CAS Number | 13343-26-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=C(C=C2)Cl |
| InChIKey | RKMZTRDJSKGOCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-chloro-4-(phenylthio)- (CAS 13343-26-5), with molecular formula C12H9ClS and molecular weight 220.01 g/mol. IUPAC: 1-chloro-4-phenylsulfanylbenzene.
Chemical Property Profile of Benzene, 1-chloro-4-(phenylthio)-
Property Insights of Benzene, 1-chloro-4-(phenylthio)-
The XLogP value of 5.1 indicates that Benzene, 1-chloro-4-(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-4-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-4-(phenylthio)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 1-chloro-4-(phenylthio)-?
The CAS number of Benzene, 1-chloro-4-(phenylthio)- is 13343-26-5.
What is the molecular formula of Benzene, 1-chloro-4-(phenylthio)-?
The molecular formula of Benzene, 1-chloro-4-(phenylthio)- is C12H9ClS.
What is the molecular weight of Benzene, 1-chloro-4-(phenylthio)-?
The molecular weight of Benzene, 1-chloro-4-(phenylthio)- is 220.01 g/mol.
Where can I buy Benzene, 1-chloro-4-(phenylthio)-?
You can request a quote for Benzene, 1-chloro-4-(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-4-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-4-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.