1,2-Bis(ethylthio)benzene
TL;DR: 1,2-Bis(ethylthio)benzene (CAS 85609-04-7) is a chemical compound with molecular formula C10H14S2 and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(ethylsulfanyl)benzene
Also Known As: 1,2-bis(ethylthio)benzene, 1,2-bis(ethylsulfanyl)benzene, Benzene, 1,2-bis(ethylthio)-, 1,2-bis-ethylsulfanyl-benzene, 1,2-Phenylenebis(ethyl sulfide)
| Molecular Formula | C10H14S2 |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.0537 |
| Heavy Atoms | 12 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 85609-04-7 |
|---|---|
| SMILES | CCSC1=CC=CC=C1SCC |
| InChIKey | ZQNAGCUHNSMONH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Bis(ethylthio)benzene (CAS 85609-04-7), with molecular formula C10H14S2 and molecular weight 198.05 g/mol. IUPAC: 1,2-bis(ethylsulfanyl)benzene.
Chemical Property Profile of 1,2-Bis(ethylthio)benzene
Property Insights of 1,2-Bis(ethylthio)benzene
The XLogP value of 3.7 indicates that 1,2-Bis(ethylthio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,2-Bis(ethylthio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Bis(ethylthio)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(ethylthio)benzene?
The CAS number of 1,2-Bis(ethylthio)benzene is 85609-04-7.
What is the molecular formula of 1,2-Bis(ethylthio)benzene?
The molecular formula of 1,2-Bis(ethylthio)benzene is C10H14S2.
What is the molecular weight of 1,2-Bis(ethylthio)benzene?
The molecular weight of 1,2-Bis(ethylthio)benzene is 198.05 g/mol.
Where can I buy 1,2-Bis(ethylthio)benzene?
You can request a quote for 1,2-Bis(ethylthio)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(ethylthio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(ethylthio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.