1,2-Epithiocyclohexane
TL;DR: 1,2-Epithiocyclohexane (CAS 286-28-2) is a chemical compound with molecular formula C6H10S and molecular weight 114.05032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-thiabicyclo[4.1.0]heptane
Also Known As: Cyclohexene sulfide, 7-Thiabicyclo[4.1.0]heptane, 1,2-Epithiocyclohexane, Cyclohexene episulfide, Cyclohexene, sulfide
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10S |
| Molecular Weight | 114.05032 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.05032 Da |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
| SMILES | C1CCC2C(C1)S2 |
| InChIKey | PQWJNIJNYRPOAA-UHFFFAOYSA-N |
Product Description
Applications: 1,2-Epithiocyclohexane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,2-Epithiocyclohexane (CAS 286-28-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,2-Epithiocyclohexane (CAS 286-28-2) is a heterocyclic building block with the molecular formula C6H10S and a molecular weight of 114.05 g/mol. It is also known as Cyclohexene sulfide and 7-Thiabicyclo[4.1.0]heptane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 114.05032 g/mol.
What are the applications of 1,2-Epithiocyclohexane?
1,2-Epithiocyclohexane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,2-Epithiocyclohexane (CAS...
Where can I buy 1,2-Epithiocyclohexane?
You can request a quote for 1,2-Epithiocyclohexane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Epithiocyclohexane?
Yes, CoreyChem provides custom synthesis services for 1,2-Epithiocyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.