Phosphorothioic acid, S-butyl O,O-dimethyl ester
TL;DR: Phosphorothioic acid, S-butyl O,O-dimethyl ester (CAS 6461-96-7) is a chemical compound with molecular formula C6H15O3PS and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yloxy-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: O,O-Dimethyl S-butyl phosphorothioate, o-butan-2-yl o,o-dimethyl phosphorothioate, butan-2-yloxy-dimethoxy-sulfanylidene-, Phosphorothioic acid, S-butyl O,O-dimethyl ester, O-(Butan-2-yl) O,O-dimethyl phosphorothioate
| Molecular Formula | C6H15O3PS |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.04796 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 6461-96-7 |
|---|---|
| SMILES | CCC(C)OP(=S)(OC)OC |
| InChIKey | SSSIWWOONHEQQN-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-butyl O,O-dimethyl ester (CAS 6461-96-7), with molecular formula C6H15O3PS and molecular weight 198.05 g/mol. IUPAC: butan-2-yloxy-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, S-butyl O,O-dimethyl ester
Property Insights of Phosphorothioic acid, S-butyl O,O-dimethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, S-butyl O,O-dimethyl ester. With a topological polar surface area (TPSA) of 59.8 Ų, Phosphorothioic acid, S-butyl O,O-dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, S-butyl 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-butyl O,O-dimethyl ester?
The CAS number of Phosphorothioic acid, S-butyl O,O-dimethyl ester is 6461-96-7.
What is the molecular formula of Phosphorothioic acid, S-butyl O,O-dimethyl ester?
The molecular formula of Phosphorothioic acid, S-butyl O,O-dimethyl ester is C6H15O3PS.
What is the molecular weight of Phosphorothioic acid, S-butyl O,O-dimethyl ester?
The molecular weight of Phosphorothioic acid, S-butyl O,O-dimethyl ester is 198.05 g/mol.
Where can I buy Phosphorothioic acid, S-butyl O,O-dimethyl ester?
You can request a quote for Phosphorothioic acid, S-butyl 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-butyl O,O-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-butyl O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.