3-Chloro-4-methylphenyl disulfide
TL;DR: 3-Chloro-4-methylphenyl disulfide (CAS 100871-75-8) is a chemical compound with molecular formula C14H12Cl2S2 and molecular weight 313.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-[(3-chloro-4-methylphenyl)disulfanyl]-1-methylbenzene
Also Known As: 3-Chloro-4-methylphenyl disulfide, Halogenated benzene disulfide analog, Bis(3-chloro-4-methylphenyl) disulfide, bis-(3-chloro-4-methyl-phenyl)-disulfide, 2-chloro-4-[(3-chloro-4-methyl-phenyl)disulfanyl]-1-methyl-benzene
| Molecular Formula | C14H12Cl2S2 |
|---|---|
| Molecular Weight | 313.98 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.97574 |
| Heavy Atoms | 18 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 100871-75-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)SSC2=CC(=C(C=C2)C)Cl)Cl |
| InChIKey | GPXATXPADIJRGI-UHFFFAOYSA-N |
Product Overview
3-Chloro-4-methylphenyl disulfide (CAS 100871-75-8), with molecular formula C14H12Cl2S2 and molecular weight 313.98 g/mol. IUPAC: 2-chloro-4-[(3-chloro-4-methylphenyl)disulfanyl]-1-methylbenzene.
Chemical Property Profile of 3-Chloro-4-methylphenyl disulfide
Property Insights of 3-Chloro-4-methylphenyl disulfide
The XLogP value of 6.0 indicates that 3-Chloro-4-methylphenyl disulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 3-Chloro-4-methylphenyl disulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-methylphenyl disulfide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-4-methylphenyl disulfide?
The CAS number of 3-Chloro-4-methylphenyl disulfide is 100871-75-8.
What is the molecular formula of 3-Chloro-4-methylphenyl disulfide?
The molecular formula of 3-Chloro-4-methylphenyl disulfide is C14H12Cl2S2.
What is the molecular weight of 3-Chloro-4-methylphenyl disulfide?
The molecular weight of 3-Chloro-4-methylphenyl disulfide is 313.98 g/mol.
Where can I buy 3-Chloro-4-methylphenyl disulfide?
You can request a quote for 3-Chloro-4-methylphenyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-methylphenyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-methylphenyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.