Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester
TL;DR: Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester (CAS 140233-60-9) is a chemical compound with molecular formula C8H14O2S and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-tert-butyl 3-oxobutanethioate
Also Known As: S-tert-Butyl acetothioacetate, terrylene, S-tert-Butyl thioacetoacetate, S-tert-Butyl 3-oxothiobutyrate, S-tert-butyl 3-oxobutanethioate
| Molecular Formula | C8H14O2S |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.07146 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 140233-60-9 |
|---|---|
| SMILES | CC(=O)CC(=O)SC(C)(C)C |
| InChIKey | FXOMETKMHQLOHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester (CAS 140233-60-9), with molecular formula C8H14O2S and molecular weight 174.07 g/mol. IUPAC: S-tert-butyl 3-oxobutanethioate.
Chemical Property Profile of Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester
Property Insights of Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester. With a topological polar surface area (TPSA) of 59.4 Ų, Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) 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 Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester?
The CAS number of Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester is 140233-60-9.
What is the molecular formula of Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester?
The molecular formula of Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester is C8H14O2S.
What is the molecular weight of Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester?
The molecular weight of Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester is 174.07 g/mol.
Where can I buy Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester?
You can request a quote for Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.