Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester
TL;DR: Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester (CAS 36852-51-4) is a chemical compound with molecular formula C8H16O2S2 and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 1-methylsulfanylethylsulfanylformate
Also Known As: O-tert-Butyl S-(1-(methylthio)ethyl) carbonothioate, tert-butyl 1-methylsulfanylethylsulfanylformate, O-t-Butyl-S-(1-methylthioethyl)thiocarbonat, CARBONOTHIOIC ACID, O-(1,1-DIMETHYLETHYL) S-(1-(METHYLTHIO)ETHYL) ESTER, O-tert-Butyl S-[1-(methylsulfanyl)ethyl] carbonothioate
| Molecular Formula | C8H16O2S2 |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.05917 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 36852-51-4 |
|---|---|
| SMILES | CC(SC)SC(=O)OC(C)(C)C |
| InChIKey | FEZILGMTUQMZHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester (CAS 36852-51-4), with molecular formula C8H16O2S2 and molecular weight 208.06 g/mol. IUPAC: tert-butyl 1-methylsulfanylethylsulfanylformate.
Chemical Property Profile of Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester
Property Insights of Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester
The XLogP value of 3.2 indicates that Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester. Following Lipinski's Rule of Five, Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) 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 Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester?
The CAS number of Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester is 36852-51-4.
What is the molecular formula of Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester?
The molecular formula of Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester is C8H16O2S2.
What is the molecular weight of Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester?
The molecular weight of Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester is 208.06 g/mol.
Where can I buy Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester?
You can request a quote for Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) 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-(1-(methylthio)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.