Allyl methanethiosulfonate
TL;DR: Allyl methanethiosulfonate (CAS 14202-77-8) is a chemical compound with molecular formula C4H8O2S2 and molecular weight 152.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfonylsulfanylprop-1-ene
Also Known As: allyl methanethiosulfonate, 3-methylsulfonylsulfanylprop-1-ene, S-allyl methanesulfonothioate, 3-(methanesulfonylsulfanyl)prop-1-ene, S-Prop-2-en-1-yl methanethiosulphonate
| Molecular Formula | C4H8O2S2 |
|---|---|
| Molecular Weight | 152.00 g/mol |
| LogP | 0.8652 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.99657 |
| Heavy Atoms | 8 |
| Complexity | 156.87712 |
Chemical Identifiers
| CAS Number | 14202-77-8 |
|---|---|
| SMILES | CS(=O)(=O)SCC=C |
Product Overview
Allyl methanethiosulfonate (CAS 14202-77-8), with molecular formula C4H8O2S2 and molecular weight 152.00 g/mol. IUPAC: 3-methylsulfonylsulfanylprop-1-ene.
Chemical Property Profile of Allyl methanethiosulfonate
Property Insights of Allyl methanethiosulfonate
The XLogP value of 0.8652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl methanethiosulfonate. With a topological polar surface area (TPSA) of 34.14 Ų, Allyl methanethiosulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 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 Allyl methanethiosulfonate?
The CAS number of Allyl methanethiosulfonate is 14202-77-8.
What is the molecular formula of Allyl methanethiosulfonate?
The molecular formula of Allyl methanethiosulfonate is C4H8O2S2.
What is the molecular weight of Allyl methanethiosulfonate?
The molecular weight of Allyl methanethiosulfonate is 152.00 g/mol.
Where can I buy Allyl methanethiosulfonate?
You can request a quote for Allyl methanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl methanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for Allyl methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.