1,2-Epithiocyclohexane
TL;DR: 1,2-Epithiocyclohexane (CAS 286-28-2) is a chemical compound with molecular formula C6H10S and molecular weight 114.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-thiabicyclo[4.1.0]heptane
Also Known As: Cyclohexene sulfide, 7-Thiabicyclo[4.1.0]heptane, 1,2-Epithiocyclohexane, Cyclohexene episulfide, Cyclohexene, sulfide
| Molecular Formula | C6H10S |
|---|---|
| Molecular Weight | 114.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.05032 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 286-28-2 |
|---|---|
| SMILES | C1CCC2C(C1)S2 |
| InChIKey | PQWJNIJNYRPOAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Epithiocyclohexane (CAS 286-28-2), with molecular formula C6H10S and molecular weight 114.05 g/mol. IUPAC: 7-thiabicyclo[4.1.0]heptane.
Chemical Property Profile of 1,2-Epithiocyclohexane
Property Insights of 1,2-Epithiocyclohexane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Epithiocyclohexane. With a topological polar surface area (TPSA) of 25.3 Ų, 1,2-Epithiocyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Epithiocyclohexane 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 1,2-Epithiocyclohexane?
The CAS number of 1,2-Epithiocyclohexane is 286-28-2.
What is the molecular formula of 1,2-Epithiocyclohexane?
The molecular formula of 1,2-Epithiocyclohexane is C6H10S.
What is the molecular weight of 1,2-Epithiocyclohexane?
The molecular weight of 1,2-Epithiocyclohexane is 114.05 g/mol.
Where can I buy 1,2-Epithiocyclohexane?
You can request a quote for 1,2-Epithiocyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Epithiocyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Epithiocyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.