Benzene, 1,3-bis(methylthio)-
TL;DR: Benzene, 1,3-bis(methylthio)- (CAS 2388-69-4) is a chemical compound with molecular formula CSC1=CC(=CC=C1)SC and molecular weight 170.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(methylsulfanyl)benzene
Also Known As: 1,3-bis(methylthio)benzene, Benzene, 1,3-bis(methylthio)-, 1,3-bis(methylsulfanyl)benzene, starbld0037228, 2,6-dimethylthiobenzene
| Molecular Formula | CSC1=CC(=CC=C1)SC |
|---|---|
| Molecular Weight | 170.02 g/mol |
| LogP | 2.6 |
| 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 | 83.0 |
Chemical Identifiers
| CAS Number | 2388-69-4 |
|---|---|
| SMILES | CSC1=CC(=CC=C1)SC |
| InChIKey | IWGCIWHKAAGKNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,3-bis(methylthio)- (CAS 2388-69-4), with molecular formula CSC1=CC(=CC=C1)SC and molecular weight 170.02 g/mol. IUPAC: 1,3-bis(methylsulfanyl)benzene.
Chemical Property Profile of Benzene, 1,3-bis(methylthio)-
Property Insights of Benzene, 1,3-bis(methylthio)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1,3-bis(methylthio)-. With a topological polar surface area (TPSA) of 50.6 Ų, Benzene, 1,3-bis(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-bis(methylthio)- 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 Benzene, 1,3-bis(methylthio)-?
The CAS number of Benzene, 1,3-bis(methylthio)- is 2388-69-4.
What is the molecular formula of Benzene, 1,3-bis(methylthio)-?
The molecular formula of Benzene, 1,3-bis(methylthio)- is CSC1=CC(=CC=C1)SC.
What is the molecular weight of Benzene, 1,3-bis(methylthio)-?
The molecular weight of Benzene, 1,3-bis(methylthio)- is 170.02 g/mol.
Where can I buy Benzene, 1,3-bis(methylthio)-?
You can request a quote for Benzene, 1,3-bis(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3-bis(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3-bis(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.