Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester
TL;DR: Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester (CAS 87764-85-0) is a chemical compound with molecular formula C7H13O2PS3 and molecular weight 255.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanylprop-1-ynylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester, 3-ethylsulfanylprop-1-ynylsulfanyl-dimethoxy-sulfanylidene-, S-[3-(ethylsulfanyl)prop-1-yn-1-yl] O,O-dimethyl phosphorodithioate
| Molecular Formula | C7H13O2PS3 |
|---|---|
| Molecular Weight | 255.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.98154 |
| Heavy Atoms | 13 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 87764-85-0 |
|---|---|
| SMILES | CCSCC#CSP(=S)(OC)OC |
| InChIKey | USQPQCFLESFXAI-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester (CAS 87764-85-0), with molecular formula C7H13O2PS3 and molecular weight 255.98 g/mol. IUPAC: 3-ethylsulfanylprop-1-ynylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester
Property Insights of Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester
The XLogP value of 3.0 indicates that Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester has 0 hydrogen bond donor(s) and 5 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-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester?
The CAS number of Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester is 87764-85-0.
What is the molecular formula of Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester?
The molecular formula of Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester is C7H13O2PS3.
What is the molecular weight of Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester?
The molecular weight of Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester is 255.98 g/mol.
Where can I buy Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester?
You can request a quote for Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) 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-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, S-(3-(ethylthio)-1-propynyl) O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.