Carbonodithioic acid, O-methyl S-2-propynyl ester
TL;DR: Carbonodithioic acid, O-methyl S-2-propynyl ester (CAS 123972-87-2) is a chemical compound with molecular formula C5H6OS2 and molecular weight 145.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl prop-2-ynylsulfanylmethanethioate
Also Known As: O-methyl S-propargyl xanthate, O-methyl prop-2-ynylsulfanylmethanethioate, Carbonodithioic acid, O-methyl S-2-propynyl ester, o-Methyl S-(2-propynyl) dithiocarbonate, o-Methyl S-(2-propynyl) dithiocarbonate #
| Molecular Formula | C5H6OS2 |
|---|---|
| Molecular Weight | 145.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 145.98601 |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 123972-87-2 |
|---|---|
| SMILES | COC(=S)SCC#C |
| InChIKey | GYFHRMCHTMWERL-UHFFFAOYSA-N |
Product Overview
Carbonodithioic acid, O-methyl S-2-propynyl ester (CAS 123972-87-2), with molecular formula C5H6OS2 and molecular weight 145.99 g/mol. IUPAC: O-methyl prop-2-ynylsulfanylmethanethioate.
Chemical Property Profile of Carbonodithioic acid, O-methyl S-2-propynyl ester
Property Insights of Carbonodithioic acid, O-methyl S-2-propynyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonodithioic acid, O-methyl S-2-propynyl ester. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonodithioic acid, O-methyl S-2-propynyl ester. Following Lipinski's Rule of Five, Carbonodithioic acid, O-methyl S-2-propynyl ester 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 Carbonodithioic acid, O-methyl S-2-propynyl ester?
The CAS number of Carbonodithioic acid, O-methyl S-2-propynyl ester is 123972-87-2.
What is the molecular formula of Carbonodithioic acid, O-methyl S-2-propynyl ester?
The molecular formula of Carbonodithioic acid, O-methyl S-2-propynyl ester is C5H6OS2.
What is the molecular weight of Carbonodithioic acid, O-methyl S-2-propynyl ester?
The molecular weight of Carbonodithioic acid, O-methyl S-2-propynyl ester is 145.99 g/mol.
Where can I buy Carbonodithioic acid, O-methyl S-2-propynyl ester?
You can request a quote for Carbonodithioic acid, O-methyl S-2-propynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonodithioic acid, O-methyl S-2-propynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonodithioic acid, O-methyl S-2-propynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.