3-((2-Carboxyethyl)thio)acrylic acid
TL;DR: 3-((2-Carboxyethyl)thio)acrylic acid (CAS 41108-54-7) is a chemical compound with molecular formula C6H8O4S and molecular weight 176.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-2-carboxyethenyl]sulfanylpropanoic acid
Also Known As: 3-Desoxy-L-threo-pentose, 3-((2-Carboxyethyl)thio)acrylic acid, 3-[(E)-2-carboxyethenyl]sulfanylpropanoic acid, 2-Propenoicacid,3-[(2-carboxyethyl)thio]-,(Z)-(9ci), 2-Propenoicacid, 3-[(2-carboxyethyl)thio]-, (Z)- (9CI)
| Molecular Formula | C6H8O4S |
|---|---|
| Molecular Weight | 176.01 g/mol |
| LogP | 0.7926 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.01433 |
| Heavy Atoms | 11 |
| Complexity | 175.4211 |
Chemical Identifiers
| CAS Number | 41108-54-7 |
|---|---|
| SMILES | C(CS/C=C/C(=O)O)C(=O)O |
Product Overview
3-((2-Carboxyethyl)thio)acrylic acid (CAS 41108-54-7), with molecular formula C6H8O4S and molecular weight 176.01 g/mol. IUPAC: 3-[(E)-2-carboxyethenyl]sulfanylpropanoic acid.
Chemical Property Profile of 3-((2-Carboxyethyl)thio)acrylic acid
Property Insights of 3-((2-Carboxyethyl)thio)acrylic acid
The XLogP value of 0.7926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Carboxyethyl)thio)acrylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-Carboxyethyl)thio)acrylic acid. Following Lipinski's Rule of Five, 3-((2-Carboxyethyl)thio)acrylic acid has 2 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 3-((2-Carboxyethyl)thio)acrylic acid?
The CAS number of 3-((2-Carboxyethyl)thio)acrylic acid is 41108-54-7.
What is the molecular formula of 3-((2-Carboxyethyl)thio)acrylic acid?
The molecular formula of 3-((2-Carboxyethyl)thio)acrylic acid is C6H8O4S.
What is the molecular weight of 3-((2-Carboxyethyl)thio)acrylic acid?
The molecular weight of 3-((2-Carboxyethyl)thio)acrylic acid is 176.01 g/mol.
Where can I buy 3-((2-Carboxyethyl)thio)acrylic acid?
You can request a quote for 3-((2-Carboxyethyl)thio)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Carboxyethyl)thio)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Carboxyethyl)thio)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.