Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester
TL;DR: Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester (CAS 17118-78-4) is a chemical compound with molecular formula C5H9OPS3 and molecular weight 211.95532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bis(methylsulfanyl)phosphorylsulfanylprop-1-yne
Also Known As: S,S-Dimethyl S-(prop-2-ynyl) phosphorotrithioate, Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester, s,s-dimethyl s-prop-2-yn-1-ylphosphorotrithioate, 3-bis(methylsulfanyl)phosphorylsulfanylprop-1-yne, 3-{[bis(methylsulfanyl)phosphoryl]sulfanyl}prop-1-yne
Technical Specifications
| Molecular Formula | C5H9OPS3 |
| Molecular Weight | 211.95532 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 93.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.95532 Da |
| Heavy Atoms | 10 |
| Complexity | 175.0 |
| SMILES | CSP(=O)(SC)SCC#C |
| InChIKey | ZLJAMTLREAVFKX-UHFFFAOYSA-N |
Chemical Property Profile of Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester
Property Insights of Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester. Following Lipinski's Rule of Five, Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester?
The CAS number of Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester is 17118-78-4.
What is the molecular formula of Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester?
The molecular formula of Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester is C5H9OPS3.
What is the molecular weight of Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester?
The molecular weight of Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester is 211.95532 g/mol.
Where can I buy Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester?
You can request a quote for Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester?
Yes, CoreyChem provides custom synthesis services for Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.