Phosphorothioic acid, O,O-dimethyl O-thymyl ester
TL;DR: Phosphorothioic acid, O,O-dimethyl O-thymyl ester (CAS 15037-62-4) is a chemical compound with molecular formula C12H19O3PS and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-(5-methyl-2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane
Also Known As: O,O-Dimethyl O-thymylphosphorothioate, O,O-Dimethyl phosphonothionate of thymol, Phosphorothioic acid, O,O-dimethyl O-thymyl ester, dimethoxy-(5-methyl-2-propan-2-ylphenoxy)-sulfanylidene-, O,O-Dimethyl O-[5-methyl-2-(propan-2-yl)phenyl] phosphorothioate
| Molecular Formula | C12H19O3PS |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.07925 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 15037-62-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OP(=S)(OC)OC |
| InChIKey | RBHCNTDVBLSWGQ-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-dimethyl O-thymyl ester (CAS 15037-62-4), with molecular formula C12H19O3PS and molecular weight 274.08 g/mol. IUPAC: dimethoxy-(5-methyl-2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl O-thymyl ester
Property Insights of Phosphorothioic acid, O,O-dimethyl O-thymyl ester
The XLogP value of 4.5 indicates that Phosphorothioic acid, O,O-dimethyl O-thymyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, Phosphorothioic acid, O,O-dimethyl O-thymyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl O-thymyl 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, O,O-dimethyl O-thymyl ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl O-thymyl ester is 15037-62-4.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl O-thymyl ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl O-thymyl ester is C12H19O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl O-thymyl ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl O-thymyl ester is 274.08 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl O-thymyl ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl O-thymyl 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, O,O-dimethyl O-thymyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl O-thymyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.