Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester
TL;DR: Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester (CAS 63716-52-9) is a chemical compound with molecular formula C6H11O3PS3 and molecular weight 257.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1,4-oxathiin-2-ylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Hercules 3273, ENT 24,398, Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester, s-(2,3-dihydro-1,4-oxathiin-2-yl) o,o-dimethyl phosphorodithioate, 2,3-dihydro-1,4-oxathiin-2-ylsulfanyl-dimethoxy-sulfanylidene-
| Molecular Formula | C6H11O3PS3 |
|---|---|
| Molecular Weight | 257.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.9608 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 63716-52-9 |
|---|---|
| SMILES | COP(=S)(OC)SC1CSC=CO1 |
| InChIKey | SVRGTAIJSHLTQN-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester (CAS 63716-52-9), with molecular formula C6H11O3PS3 and molecular weight 257.96 g/mol. IUPAC: 2,3-dihydro-1,4-oxathiin-2-ylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester
Property Insights of Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester has 0 hydrogen bond donor(s) and 6 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 Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester?
The CAS number of Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester is 63716-52-9.
What is the molecular formula of Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester?
The molecular formula of Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester is C6H11O3PS3.
What is the molecular weight of Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester?
The molecular weight of Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester is 257.96 g/mol.
Where can I buy Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester?
You can request a quote for Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, S-2,3-dihydro-1,4-oxathiinyl O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.