Hexamethylene sulfoxide
TL;DR: Hexamethylene sulfoxide (CAS 6251-34-9) is a chemical compound with molecular formula C6H12OS and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiepane 1-oxide
Also Known As: thiepane 1-oxide, Hexamethylene sulfoxide, thiepane-oxide, Thiepane oxide, Thiepane, 1-oxide
| Molecular Formula | C6H12OS |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.06088 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 6251-34-9 |
|---|---|
| SMILES | C1CCCS(=O)CC1 |
| InChIKey | LBMZLLXZMSMJPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexamethylene sulfoxide (CAS 6251-34-9), with molecular formula C6H12OS and molecular weight 132.06 g/mol. IUPAC: thiepane 1-oxide.
Chemical Property Profile of Hexamethylene sulfoxide
Property Insights of Hexamethylene sulfoxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexamethylene sulfoxide. With a topological polar surface area (TPSA) of 36.3 Ų, Hexamethylene sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexamethylene sulfoxide 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 Hexamethylene sulfoxide?
The CAS number of Hexamethylene sulfoxide is 6251-34-9.
What is the molecular formula of Hexamethylene sulfoxide?
The molecular formula of Hexamethylene sulfoxide is C6H12OS.
What is the molecular weight of Hexamethylene sulfoxide?
The molecular weight of Hexamethylene sulfoxide is 132.06 g/mol.
Where can I buy Hexamethylene sulfoxide?
You can request a quote for Hexamethylene sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexamethylene sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Hexamethylene sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.