1,2-Bis(methylsulfanyl)benzene
TL;DR: 1,2-Bis(methylsulfanyl)benzene (CAS 2388-68-3) is a chemical compound with molecular formula CSC1=CC=CC=C1SC and molecular weight 170.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(methylsulfanyl)benzene
Also Known As: 1,2-Benzenedimethanethiol, 1,2-bis(methylsulfanyl)benzene, Benzene, 1,2-bis(methylthio)-, 1,2-bis(methylthio)benzene, 1,2-dimethylthiobenzene
| Molecular Formula | CSC1=CC=CC=C1SC |
|---|---|
| Molecular Weight | 170.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0224 |
| Heavy Atoms | 10 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 2388-68-3 |
|---|---|
| SMILES | CSC1=CC=CC=C1SC |
| InChIKey | KMGHCDZLSCNMDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Bis(methylsulfanyl)benzene (CAS 2388-68-3), with molecular formula CSC1=CC=CC=C1SC and molecular weight 170.02 g/mol. IUPAC: 1,2-bis(methylsulfanyl)benzene.
Chemical Property Profile of 1,2-Bis(methylsulfanyl)benzene
Property Insights of 1,2-Bis(methylsulfanyl)benzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Bis(methylsulfanyl)benzene. With a topological polar surface area (TPSA) of 50.6 Ų, 1,2-Bis(methylsulfanyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Bis(methylsulfanyl)benzene 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 1,2-Bis(methylsulfanyl)benzene?
The CAS number of 1,2-Bis(methylsulfanyl)benzene is 2388-68-3.
What is the molecular formula of 1,2-Bis(methylsulfanyl)benzene?
The molecular formula of 1,2-Bis(methylsulfanyl)benzene is CSC1=CC=CC=C1SC.
What is the molecular weight of 1,2-Bis(methylsulfanyl)benzene?
The molecular weight of 1,2-Bis(methylsulfanyl)benzene is 170.02 g/mol.
Where can I buy 1,2-Bis(methylsulfanyl)benzene?
You can request a quote for 1,2-Bis(methylsulfanyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(methylsulfanyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(methylsulfanyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.