3,5-Dichlorophenyl methyl sulfide
TL;DR: 3,5-Dichlorophenyl methyl sulfide (CAS 68928-60-9) is a chemical compound with molecular formula C7H6Cl2S and molecular weight 191.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-5-methylsulfanylbenzene
Also Known As: 3,5-Dichlorothioanisole, (3,5-dichlorophenyl)(methyl)sulfane, DCPMT, 3,5-Dichloro thioanisole, 3,5-Dichlorophenyl methyl sulfide
| Molecular Formula | C7H6Cl2S |
|---|---|
| Molecular Weight | 191.96 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.95673 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 68928-60-9 |
|---|---|
| SMILES | CSC1=CC(=CC(=C1)Cl)Cl |
| InChIKey | PSSCMQMQOXVMFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dichlorophenyl methyl sulfide (CAS 68928-60-9), with molecular formula C7H6Cl2S and molecular weight 191.96 g/mol. IUPAC: 1,3-dichloro-5-methylsulfanylbenzene.
Chemical Property Profile of 3,5-Dichlorophenyl methyl sulfide
Property Insights of 3,5-Dichlorophenyl methyl sulfide
The XLogP value of 3.7 indicates that 3,5-Dichlorophenyl methyl 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, 3,5-Dichlorophenyl methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichlorophenyl methyl 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 3,5-Dichlorophenyl methyl sulfide?
The CAS number of 3,5-Dichlorophenyl methyl sulfide is 68928-60-9.
What is the molecular formula of 3,5-Dichlorophenyl methyl sulfide?
The molecular formula of 3,5-Dichlorophenyl methyl sulfide is C7H6Cl2S.
What is the molecular weight of 3,5-Dichlorophenyl methyl sulfide?
The molecular weight of 3,5-Dichlorophenyl methyl sulfide is 191.96 g/mol.
Where can I buy 3,5-Dichlorophenyl methyl sulfide?
You can request a quote for 3,5-Dichlorophenyl methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichlorophenyl methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichlorophenyl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.