Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester
TL;DR: Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester (CAS 76380-86-4) is a chemical compound with molecular formula C11H17OPS and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[tert-butyl(methylsulfanyl)phosphoryl]benzene
Also Known As: [tert-butyl(methylsulfanyl)phosphoryl]benzene|6,7-Dihydroxy-4'-methoxyisoflavanone|S-methyl phenyl-t-butylphosphinothioate|(tert-butyl-methylsulfanylphosphoryl)benzene|tert-Butylphenylphosphinothioic acid S-methyl ester|Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester|(TERT-BUTYL)PHENYLPHOSPHINOTHIOIC ACID S-METHYL ESTER
| Molecular Formula | C11H17OPS |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.07378 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 76380-86-4 |
|---|---|
| SMILES | CC(C)(C)P(=O)(C1=CC=CC=C1)SC |
| InChIKey | LXQHGRPQZABCNX-UHFFFAOYSA-N |
Product Overview
Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester (CAS 76380-86-4), with molecular formula C11H17OPS and molecular weight 228.07 g/mol. IUPAC: [tert-butyl(methylsulfanyl)phosphoryl]benzene.
Chemical Property Profile of Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester
Property Insights of Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester. With a topological polar surface area (TPSA) of 42.4 Ų, Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester has 0 hydrogen bond donor(s) and 2 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 Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester?
The CAS number of Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester is 76380-86-4.
What is the molecular formula of Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester?
The molecular formula of Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester is C11H17OPS.
What is the molecular weight of Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester?
The molecular weight of Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester is 228.07 g/mol.
Where can I buy Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester?
You can request a quote for Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, S-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.