Phosphinothioic acid, (1,1-dimethylethyl)phenyl-
TL;DR: Phosphinothioic acid, (1,1-dimethylethyl)phenyl- (CAS 54100-47-9) is a chemical compound with molecular formula C10H15OPS and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl-hydroxy-phenyl-sulfanylidene-λ5-phosphane
Also Known As: Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, t-butylphenyl-phosphinothioic acid, tert-butylphenylphosphinothioic acid, Phenyl tert-butylthiophosphinic acid, tert-Butyl(phenyl)phosphinothioic S-acid
| Molecular Formula | C10H15OPS |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.05812 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 54100-47-9 |
|---|---|
| SMILES | CC(C)(C)P(=S)(C1=CC=CC=C1)O |
| InChIKey | ACQNBIJCKLUKMY-UHFFFAOYSA-N |
Product Overview
Phosphinothioic acid, (1,1-dimethylethyl)phenyl- (CAS 54100-47-9), with molecular formula C10H15OPS and molecular weight 214.06 g/mol. IUPAC: tert-butyl-hydroxy-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphinothioic acid, (1,1-dimethylethyl)phenyl-
Property Insights of Phosphinothioic acid, (1,1-dimethylethyl)phenyl-
The XLogP value of 3.2 indicates that Phosphinothioic acid, (1,1-dimethylethyl)phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Phosphinothioic acid, (1,1-dimethylethyl)phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphinothioic acid, (1,1-dimethylethyl)phenyl- has 1 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-?
The CAS number of Phosphinothioic acid, (1,1-dimethylethyl)phenyl- is 54100-47-9.
What is the molecular formula of Phosphinothioic acid, (1,1-dimethylethyl)phenyl-?
The molecular formula of Phosphinothioic acid, (1,1-dimethylethyl)phenyl- is C10H15OPS.
What is the molecular weight of Phosphinothioic acid, (1,1-dimethylethyl)phenyl-?
The molecular weight of Phosphinothioic acid, (1,1-dimethylethyl)phenyl- is 214.06 g/mol.
Where can I buy Phosphinothioic acid, (1,1-dimethylethyl)phenyl-?
You can request a quote for Phosphinothioic acid, (1,1-dimethylethyl)phenyl- 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-?
Yes, KEHONG BIO provides custom synthesis services for Phosphinothioic acid, (1,1-dimethylethyl)phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.