Hexyl Methanethiosulfonate
TL;DR: Hexyl Methanethiosulfonate (CAS 53603-16-0) is a chemical compound with molecular formula C7H16O2S2 and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonylsulfanylhexane
Also Known As: Hexyl Methanethiosulfonate, 1-methylsulfonylsulfanylhexane, HMTS, S-Hexyl methanesulfonothioate, 1-(METHANESULFONYLSULFANYL)HEXANE
| Molecular Formula | C7H16O2S2 |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.2595 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.05917 |
| Heavy Atoms | 11 |
| Complexity | 172.8796 |
Chemical Identifiers
| CAS Number | 53603-16-0 |
|---|---|
| SMILES | CCCCCCSS(=O)(=O)C |
Product Overview
Hexyl Methanethiosulfonate (CAS 53603-16-0), with molecular formula C7H16O2S2 and molecular weight 196.06 g/mol. IUPAC: 1-methylsulfonylsulfanylhexane.
Chemical Property Profile of Hexyl Methanethiosulfonate
Property Insights of Hexyl Methanethiosulfonate
The XLogP value of 2.2595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl Methanethiosulfonate. With a topological polar surface area (TPSA) of 34.14 Ų, Hexyl Methanethiosulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl Methanethiosulfonate has 0 hydrogen bond donor(s) and 3 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 Hexyl Methanethiosulfonate?
The CAS number of Hexyl Methanethiosulfonate is 53603-16-0.
What is the molecular formula of Hexyl Methanethiosulfonate?
The molecular formula of Hexyl Methanethiosulfonate is C7H16O2S2.
What is the molecular weight of Hexyl Methanethiosulfonate?
The molecular weight of Hexyl Methanethiosulfonate is 196.06 g/mol.
Where can I buy Hexyl Methanethiosulfonate?
You can request a quote for Hexyl Methanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl Methanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl Methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.