Butanoic acid, 3-(methylthio)-
TL;DR: Butanoic acid, 3-(methylthio)- (CAS 16630-65-2) is a chemical compound with molecular formula C5H10O2S and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanylbutanoic acid
Also Known As: 3-(Methylthio)butyric acid, 3-(Methylsulfanyl)butanoic acid, Butanoic acid, 3-(methylthio)-, 3-methylsulfanylbutanoic acid, 3-(Methylthio)butanoic acid
| Molecular Formula | C5H10O2S |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.04015 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 16630-65-2 |
|---|---|
| SMILES | CC(CC(=O)O)SC |
| InChIKey | QWAKSOMWGWIYQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 3-(methylthio)- (CAS 16630-65-2), with molecular formula C5H10O2S and molecular weight 134.04 g/mol. IUPAC: 3-methylsulfanylbutanoic acid.
Chemical Property Profile of Butanoic acid, 3-(methylthio)-
Property Insights of Butanoic acid, 3-(methylthio)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 3-(methylthio)-. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 3-(methylthio)-. Following Lipinski's Rule of Five, Butanoic acid, 3-(methylthio)- has 1 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 Butanoic acid, 3-(methylthio)-?
The CAS number of Butanoic acid, 3-(methylthio)- is 16630-65-2.
What is the molecular formula of Butanoic acid, 3-(methylthio)-?
The molecular formula of Butanoic acid, 3-(methylthio)- is C5H10O2S.
What is the molecular weight of Butanoic acid, 3-(methylthio)-?
The molecular weight of Butanoic acid, 3-(methylthio)- is 134.04 g/mol.
Where can I buy Butanoic acid, 3-(methylthio)-?
You can request a quote for Butanoic acid, 3-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.