Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester
TL;DR: Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester (CAS 87709-19-1) is a chemical compound with molecular formula C8H15O3PS and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dimethoxyphosphorylsulfanylhex-1-yne
Also Known As: 1-dimethoxyphosphorylsulfanylhex-1-yne, Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester, S-(Hex-1-yn-1-yl) O,O-dimethyl phosphorothioate
| Molecular Formula | C8H15O3PS |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.04796 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 87709-19-1 |
|---|---|
| SMILES | CCCCC#CSP(=O)(OC)OC |
| InChIKey | PBCQTBIPGXODJW-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester (CAS 87709-19-1), with molecular formula C8H15O3PS and molecular weight 222.05 g/mol. IUPAC: 1-dimethoxyphosphorylsulfanylhex-1-yne.
Chemical Property Profile of Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester
Property Insights of Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, S-1-hexynyl O,O-dimethyl 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
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester?
The CAS number of Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester is 87709-19-1.
What is the molecular formula of Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester?
The molecular formula of Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester is C8H15O3PS.
What is the molecular weight of Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester?
The molecular weight of Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester is 222.05 g/mol.
Where can I buy Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester?
You can request a quote for Phosphorothioic acid, S-1-hexynyl 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 Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-1-hexynyl O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.