S-Methyl 2-propene-1-sulfinothioate
TL;DR: S-Methyl 2-propene-1-sulfinothioate (CAS 3736-98-9) is a chemical compound with molecular formula C4H8OS2 and molecular weight 136.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanylsulfinylprop-1-ene
Also Known As: Allyl-S(O)S-Me, Methyl allyl thiosulfinate, Methyl allylthiosulfinate, S-Methyl 2-propene-1-sulfinothioate, 3-methylsulfanylsulfinylprop-1-ene
| Molecular Formula | C4H8OS2 |
|---|---|
| Molecular Weight | 136.00 g/mol |
| LogP | 1.1991 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.00166 |
| Heavy Atoms | 7 |
| Complexity | 79.75898 |
Chemical Identifiers
| CAS Number | 3736-98-9 |
|---|---|
| SMILES | CSS(=O)CC=C |
Product Overview
S-Methyl 2-propene-1-sulfinothioate (CAS 3736-98-9), with molecular formula C4H8OS2 and molecular weight 136.00 g/mol. IUPAC: 3-methylsulfanylsulfinylprop-1-ene.
Chemical Property Profile of S-Methyl 2-propene-1-sulfinothioate
Property Insights of S-Methyl 2-propene-1-sulfinothioate
The XLogP value of 1.1991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl 2-propene-1-sulfinothioate. With a topological polar surface area (TPSA) of 17.07 Ų, S-Methyl 2-propene-1-sulfinothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl 2-propene-1-sulfinothioate 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 S-Methyl 2-propene-1-sulfinothioate?
The CAS number of S-Methyl 2-propene-1-sulfinothioate is 3736-98-9.
What is the molecular formula of S-Methyl 2-propene-1-sulfinothioate?
The molecular formula of S-Methyl 2-propene-1-sulfinothioate is C4H8OS2.
What is the molecular weight of S-Methyl 2-propene-1-sulfinothioate?
The molecular weight of S-Methyl 2-propene-1-sulfinothioate is 136.00 g/mol.
Where can I buy S-Methyl 2-propene-1-sulfinothioate?
You can request a quote for S-Methyl 2-propene-1-sulfinothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl 2-propene-1-sulfinothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl 2-propene-1-sulfinothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.