2-(2-Propen-1-ylthio)acetic acid
TL;DR: 2-(2-Propen-1-ylthio)acetic acid (CAS 20600-63-9) is a chemical compound with molecular formula C5H8O2S and molecular weight 132.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enylsulfanylacetic acid
Also Known As: (Allylthio)acetic acid, 2-(Allylthio)acetic acid, allylsulfanyl-acetic acid, Allylthioessigsaure, Acetic acid, (allylthio)-
| Molecular Formula | C5H8O2S |
|---|---|
| Molecular Weight | 132.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.0245 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 20600-63-9 |
|---|---|
| SMILES | C=CCSCC(=O)O |
| InChIKey | BLSMRHBHPHGMSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Propen-1-ylthio)acetic acid (CAS 20600-63-9), with molecular formula C5H8O2S and molecular weight 132.02 g/mol. IUPAC: 2-prop-2-enylsulfanylacetic acid.
Chemical Property Profile of 2-(2-Propen-1-ylthio)acetic acid
Property Insights of 2-(2-Propen-1-ylthio)acetic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Propen-1-ylthio)acetic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Propen-1-ylthio)acetic acid. Following Lipinski's Rule of Five, 2-(2-Propen-1-ylthio)acetic acid 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 2-(2-Propen-1-ylthio)acetic acid?
The CAS number of 2-(2-Propen-1-ylthio)acetic acid is 20600-63-9.
What is the molecular formula of 2-(2-Propen-1-ylthio)acetic acid?
The molecular formula of 2-(2-Propen-1-ylthio)acetic acid is C5H8O2S.
What is the molecular weight of 2-(2-Propen-1-ylthio)acetic acid?
The molecular weight of 2-(2-Propen-1-ylthio)acetic acid is 132.02 g/mol.
Where can I buy 2-(2-Propen-1-ylthio)acetic acid?
You can request a quote for 2-(2-Propen-1-ylthio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Propen-1-ylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Propen-1-ylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.