1-Chloro-4-(phenyldithio)benzene
TL;DR: 1-Chloro-4-(phenyldithio)benzene (CAS 38642-49-8) is a chemical compound with molecular formula C12H9ClS2 and molecular weight 251.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(phenyldisulfanyl)benzene
Also Known As: 1-Chloro-4-(phenyldithio)benzene, 4-Chlorophenyl phenyl disulfide, 1-chloro-4-(phenyldisulfanyl)benzene, 1-chloro-4-phenyldisulfanyl-benzene, 4-Chlorophenyl(phenyl) persulfide
| Molecular Formula | C12H9ClS2 |
|---|---|
| Molecular Weight | 251.98 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.98341 |
| Heavy Atoms | 15 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 38642-49-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SSC2=CC=C(C=C2)Cl |
| InChIKey | NUWGHEZSJWEUEV-UHFFFAOYSA-N |
Product Overview
1-Chloro-4-(phenyldithio)benzene (CAS 38642-49-8), with molecular formula C12H9ClS2 and molecular weight 251.98 g/mol. IUPAC: 1-chloro-4-(phenyldisulfanyl)benzene.
Chemical Property Profile of 1-Chloro-4-(phenyldithio)benzene
Property Insights of 1-Chloro-4-(phenyldithio)benzene
The XLogP value of 5.0 indicates that 1-Chloro-4-(phenyldithio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1-Chloro-4-(phenyldithio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(phenyldithio)benzene has 0 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 1-Chloro-4-(phenyldithio)benzene?
The CAS number of 1-Chloro-4-(phenyldithio)benzene is 38642-49-8.
What is the molecular formula of 1-Chloro-4-(phenyldithio)benzene?
The molecular formula of 1-Chloro-4-(phenyldithio)benzene is C12H9ClS2.
What is the molecular weight of 1-Chloro-4-(phenyldithio)benzene?
The molecular weight of 1-Chloro-4-(phenyldithio)benzene is 251.98 g/mol.
Where can I buy 1-Chloro-4-(phenyldithio)benzene?
You can request a quote for 1-Chloro-4-(phenyldithio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(phenyldithio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(phenyldithio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.