Pentyl methanethiosulfonate
TL;DR: Pentyl methanethiosulfonate (CAS 4212-64-0) is a chemical compound with molecular formula C6H14O2S2 and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonylsulfanylpentane
Also Known As: PENTYL METHANETHIOSULFONATE, 1-methylsulfonylsulfanylpentane, 1-(METHANESULFONYLSULFANYL)PENTANE, Thio-methanesulfonic Acid S-Pentyl Ester, Methanethiosulfonic acid S-pentyl ester
| Molecular Formula | C6H14O2S2 |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 1.8694 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.04352 |
| Heavy Atoms | 10 |
| Complexity | 160.58662 |
Chemical Identifiers
| CAS Number | 4212-64-0 |
|---|---|
| SMILES | CCCCCSS(=O)(=O)C |
Product Overview
Pentyl methanethiosulfonate (CAS 4212-64-0), with molecular formula C6H14O2S2 and molecular weight 182.04 g/mol. IUPAC: 1-methylsulfonylsulfanylpentane.
Chemical Property Profile of Pentyl methanethiosulfonate
Property Insights of Pentyl methanethiosulfonate
The XLogP value of 1.8694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl methanethiosulfonate. With a topological polar surface area (TPSA) of 34.14 Ų, Pentyl methanethiosulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 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 Pentyl methanethiosulfonate?
The CAS number of Pentyl methanethiosulfonate is 4212-64-0.
What is the molecular formula of Pentyl methanethiosulfonate?
The molecular formula of Pentyl methanethiosulfonate is C6H14O2S2.
What is the molecular weight of Pentyl methanethiosulfonate?
The molecular weight of Pentyl methanethiosulfonate is 182.04 g/mol.
Where can I buy Pentyl methanethiosulfonate?
You can request a quote for Pentyl methanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl methanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.