S-(2-Oxobutyl) butanethioate
TL;DR: S-(2-Oxobutyl) butanethioate (CAS 32132-35-7) 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-(2-oxobutyl) butanethioate
Also Known As: S-(2-Oxobutyl) butanethioate, S-(2-Oxobutyl) butanethioate #, Butyricacid,thio-,S-esterwith1-mercapto-2-butanone, Butyric acid, thio-, S-ester with 1-mercapto-2-butanone
| Molecular Formula | C8H14O2S |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 1.7 |
| 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 | 32132-35-7 |
|---|---|
| SMILES | CCCC(=O)SCC(=O)CC |
| InChIKey | BISOHKKLTGWDCY-UHFFFAOYSA-N |
Product Overview
S-(2-Oxobutyl) butanethioate (CAS 32132-35-7), with molecular formula C8H14O2S and molecular weight 174.07 g/mol. IUPAC: S-(2-oxobutyl) butanethioate.
Chemical Property Profile of S-(2-Oxobutyl) butanethioate
Property Insights of S-(2-Oxobutyl) butanethioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Oxobutyl) butanethioate. With a topological polar surface area (TPSA) of 59.4 Ų, S-(2-Oxobutyl) butanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-Oxobutyl) butanethioate 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-(2-Oxobutyl) butanethioate?
The CAS number of S-(2-Oxobutyl) butanethioate is 32132-35-7.
What is the molecular formula of S-(2-Oxobutyl) butanethioate?
The molecular formula of S-(2-Oxobutyl) butanethioate is C8H14O2S.
What is the molecular weight of S-(2-Oxobutyl) butanethioate?
The molecular weight of S-(2-Oxobutyl) butanethioate is 174.07 g/mol.
Where can I buy S-(2-Oxobutyl) butanethioate?
You can request a quote for S-(2-Oxobutyl) butanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Oxobutyl) butanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Oxobutyl) butanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.