Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone)
TL;DR: Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone) (CAS 7210-63-1) is a chemical compound with molecular formula C5H6OS2 and molecular weight 145.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-2H-thiophen-5-one
Also Known As: 4-Methylthiothiophen-2 -one, 4-Methylthiothiophen-2(5H)-one, 3-methylsulfanyl-2H-thiophen-5-one, 4-(Methylsulfanyl)-2(5H)-thiophenone, 4-(Methylsulfanyl)-2(5H)-thiophenone #
| Molecular Formula | C5H6OS2 |
|---|---|
| Molecular Weight | 145.99 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.98601 |
| Heavy Atoms | 8 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 7210-63-1 |
|---|---|
| SMILES | CSC1=CC(=O)SC1 |
| InChIKey | JMIFOYCPBOJDAT-UHFFFAOYSA-N |
Product Overview
Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone) (CAS 7210-63-1), with molecular formula C5H6OS2 and molecular weight 145.99 g/mol. IUPAC: 3-methylsulfanyl-2H-thiophen-5-one.
Chemical Property Profile of Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone)
Property Insights of Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone)
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone). The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone). Following Lipinski's Rule of Five, Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone) 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 Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone)?
The CAS number of Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone) is 7210-63-1.
What is the molecular formula of Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone)?
The molecular formula of Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone) is C5H6OS2.
What is the molecular weight of Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone)?
The molecular weight of Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone) is 145.99 g/mol.
Where can I buy Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone)?
You can request a quote for Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone)?
Yes, KEHONG BIO provides custom synthesis services for Crotonic acid, 4-mercapto-3-(methylthio)-, gamma-(thio lactone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.