3,4-Bis(methylthio)toluene
TL;DR: 3,4-Bis(methylthio)toluene (CAS 29690-14-0) is a chemical compound with molecular formula C9H12S2 and molecular weight 184.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1,2-bis(methylsulfanyl)benzene
Also Known As: 3,4-Bis(methylthio)toluene, (4-Methyl-1,2-phenylene)bis(methylsulfane), 4-Methyl-1,2-bis(methylthio)benzene, 4-Methyl-1,2-bis(methylsulfanyl)benzene, 4-Methyl-1,2-bis(methylsulfanyl)benzene #
| Molecular Formula | C9H12S2 |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.03804 |
| Heavy Atoms | 11 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 29690-14-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)SC)SC |
| InChIKey | HDPFHGYXRXBXJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Bis(methylthio)toluene (CAS 29690-14-0), with molecular formula C9H12S2 and molecular weight 184.04 g/mol. IUPAC: 4-methyl-1,2-bis(methylsulfanyl)benzene.
Chemical Property Profile of 3,4-Bis(methylthio)toluene
Property Insights of 3,4-Bis(methylthio)toluene
The XLogP value of 3.3 indicates that 3,4-Bis(methylthio)toluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 3,4-Bis(methylthio)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Bis(methylthio)toluene 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 3,4-Bis(methylthio)toluene?
The CAS number of 3,4-Bis(methylthio)toluene is 29690-14-0.
What is the molecular formula of 3,4-Bis(methylthio)toluene?
The molecular formula of 3,4-Bis(methylthio)toluene is C9H12S2.
What is the molecular weight of 3,4-Bis(methylthio)toluene?
The molecular weight of 3,4-Bis(methylthio)toluene is 184.04 g/mol.
Where can I buy 3,4-Bis(methylthio)toluene?
You can request a quote for 3,4-Bis(methylthio)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Bis(methylthio)toluene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Bis(methylthio)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.