Benzene, 1,2,3-trichloro-4-(methylthio)-
TL;DR: Benzene, 1,2,3-trichloro-4-(methylthio)- (CAS 98420-62-3) is a chemical compound with molecular formula C7H5Cl3S and molecular weight 225.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trichloro-4-methylsulfanylbenzene
Also Known As: 2,3,4-Trichlorothioanisole, Methyl(2,3,4-trichlorophenyl)sulfane, Benzene, 1,2,3-trichloro-4-(methylthio)-, 1,2,3-trichloro-4-methylsulfanylbenzene, 1,2,3-trichloro-4-methylsulfanyl-benzene
| Molecular Formula | C7H5Cl3S |
|---|---|
| Molecular Weight | 225.92 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.91776 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 98420-62-3 |
|---|---|
| SMILES | CSC1=C(C(=C(C=C1)Cl)Cl)Cl |
| InChIKey | MVUHDEFEIKWDGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,2,3-trichloro-4-(methylthio)- (CAS 98420-62-3), with molecular formula C7H5Cl3S and molecular weight 225.92 g/mol. IUPAC: 1,2,3-trichloro-4-methylsulfanylbenzene.
Chemical Property Profile of Benzene, 1,2,3-trichloro-4-(methylthio)-
Property Insights of Benzene, 1,2,3-trichloro-4-(methylthio)-
The XLogP value of 4.5 indicates that Benzene, 1,2,3-trichloro-4-(methylthio)- 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, 1,2,3-trichloro-4-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,2,3-trichloro-4-(methylthio)- 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, 1,2,3-trichloro-4-(methylthio)-?
The CAS number of Benzene, 1,2,3-trichloro-4-(methylthio)- is 98420-62-3.
What is the molecular formula of Benzene, 1,2,3-trichloro-4-(methylthio)-?
The molecular formula of Benzene, 1,2,3-trichloro-4-(methylthio)- is C7H5Cl3S.
What is the molecular weight of Benzene, 1,2,3-trichloro-4-(methylthio)-?
The molecular weight of Benzene, 1,2,3-trichloro-4-(methylthio)- is 225.92 g/mol.
Where can I buy Benzene, 1,2,3-trichloro-4-(methylthio)-?
You can request a quote for Benzene, 1,2,3-trichloro-4-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,2,3-trichloro-4-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2,3-trichloro-4-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.