S-Butyl 3-oxobutanethioate
TL;DR: S-Butyl 3-oxobutanethioate (CAS 15780-63-9) 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-butyl 3-oxobutanethioate
Also Known As: S-Butyl 3-oxobutanethioate, S-Butyl 3-oxobutanethioate #, Butanethioic acid, 3-oxo-, S-butyl ester, 1-(butylsulfanyl)butane-1,3-dione, 3-Oxobutanethioic acid S-butyl ester
| Molecular Formula | C8H14O2S |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.07146 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 15780-63-9 |
|---|---|
| SMILES | CCCCSC(=O)CC(=O)C |
| InChIKey | DZAGQELYBSGGJQ-UHFFFAOYSA-N |
Product Overview
S-Butyl 3-oxobutanethioate (CAS 15780-63-9), with molecular formula C8H14O2S and molecular weight 174.07 g/mol. IUPAC: S-butyl 3-oxobutanethioate.
Chemical Property Profile of S-Butyl 3-oxobutanethioate
Property Insights of S-Butyl 3-oxobutanethioate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Butyl 3-oxobutanethioate. With a topological polar surface area (TPSA) of 59.4 Ų, S-Butyl 3-oxobutanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Butyl 3-oxobutanethioate 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 S-Butyl 3-oxobutanethioate?
The CAS number of S-Butyl 3-oxobutanethioate is 15780-63-9.
What is the molecular formula of S-Butyl 3-oxobutanethioate?
The molecular formula of S-Butyl 3-oxobutanethioate is C8H14O2S.
What is the molecular weight of S-Butyl 3-oxobutanethioate?
The molecular weight of S-Butyl 3-oxobutanethioate is 174.07 g/mol.
Where can I buy S-Butyl 3-oxobutanethioate?
You can request a quote for S-Butyl 3-oxobutanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Butyl 3-oxobutanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-Butyl 3-oxobutanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.