Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester
TL;DR: Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester (CAS 36760-43-7) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl phenylsulfanylformate
Also Known As: tert-butyl phenylsulfanylformate, O-t.-Butyl-S-phenylthiocarbonat, O-tert-butyl S-phenyl carbonothioate, Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester, o-(tert-Butyl) S-phenyl thiocarbonate
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 36760-43-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)SC1=CC=CC=C1 |
| InChIKey | IGRMSXXOLUAPSN-UHFFFAOYSA-N |
Product Overview
Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester (CAS 36760-43-7), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: tert-butyl phenylsulfanylformate.
Chemical Property Profile of Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester
Property Insights of Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester
The XLogP value of 3.6 indicates that Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester has 0 hydrogen bond donor(s) and 3 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 Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester?
The CAS number of Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester is 36760-43-7.
What is the molecular formula of Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester?
The molecular formula of Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester is C11H14O2S.
What is the molecular weight of Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester?
The molecular weight of Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester is 210.07 g/mol.
Where can I buy Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester?
You can request a quote for Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonothioic acid, O-(1,1-dimethylethyl) S-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.