Methyl 1-propenyl thiosulfinate
TL;DR: Methyl 1-propenyl thiosulfinate (CAS 134568-43-7) is a chemical compound with molecular formula C4H8OS2 and molecular weight 136.00166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-methylsulfanylsulfinylprop-1-ene
Also Known As: Me-SS(O)-Propenyl, 1-Propenyl(methylthio) sulfoxide, methyl 1-propenyl thiosulfinate, Methyl-1-propenyl thiosulfinate, Methyl(1-propenylsulfinyl) sulfide
Technical Specifications
| Molecular Formula | C4H8OS2 |
| Molecular Weight | 136.00166 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.00166 Da |
| Heavy Atoms | 7 |
| Complexity | 87.0 |
| SMILES | C/C=C/S(=O)SC |
| InChIKey | LXYFYPXBSIMFKX-ONEGZZNKSA-N |
Chemical Property Profile of Methyl 1-propenyl thiosulfinate
Property Insights of Methyl 1-propenyl thiosulfinate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-propenyl thiosulfinate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-propenyl thiosulfinate. Following Lipinski's Rule of Five, Methyl 1-propenyl thiosulfinate 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
What is the CAS number of Methyl 1-propenyl thiosulfinate?
The CAS number of Methyl 1-propenyl thiosulfinate is 134568-43-7.
What is the molecular formula of Methyl 1-propenyl thiosulfinate?
The molecular formula of Methyl 1-propenyl thiosulfinate is C4H8OS2.
What is the molecular weight of Methyl 1-propenyl thiosulfinate?
The molecular weight of Methyl 1-propenyl thiosulfinate is 136.00166 g/mol.
Where can I buy Methyl 1-propenyl thiosulfinate?
You can request a quote for Methyl 1-propenyl thiosulfinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 1-propenyl thiosulfinate?
Yes, CoreyChem provides custom synthesis services for Methyl 1-propenyl thiosulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.