![1-Methyl-2-[(trichloromethyl)sulfanyl]benzene structure](/static/products/919/91912-07-1.png)
1-Methyl-2-[(trichloromethyl)sulfanyl]benzene
TL;DR: 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene (CAS 91912-07-1) is a chemical compound with molecular formula C8H7Cl3S and molecular weight 239.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-(trichloromethylsulfanyl)benzene
Also Known As: Trichlormethyl-o-tolylsulfid, 1-methyl-2-(trichloromethylsulfanyl)benzene, 1-methyl-2-[(trichloromethyl)sulfanyl]benzene
| Molecular Formula | C8H7Cl3S |
|---|---|
| Molecular Weight | 239.93 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.93341 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 91912-07-1 |
|---|---|
| SMILES | CC1=CC=CC=C1SC(Cl)(Cl)Cl |
| InChIKey | OSEVDNGCJCMJEH-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-[(trichloromethyl)sulfanyl]benzene (CAS 91912-07-1), with molecular formula C8H7Cl3S and molecular weight 239.93 g/mol. IUPAC: 1-methyl-2-(trichloromethylsulfanyl)benzene.
Chemical Property Profile of 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene
Property Insights of 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene
The XLogP value of 4.7 indicates that 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene 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 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene?
The CAS number of 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene is 91912-07-1.
What is the molecular formula of 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene?
The molecular formula of 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene is C8H7Cl3S.
What is the molecular weight of 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene?
The molecular weight of 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene is 239.93 g/mol.
Where can I buy 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene?
You can request a quote for 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-[(trichloromethyl)sulfanyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.