3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid
TL;DR: 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid (CAS 125907-88-2) is a chemical compound with molecular formula C5H7N3O2S and molecular weight 173.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanoic acid
Also Known As: 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid, TimTec1_002765, ZERO/005793, 3-(5-sulfanyl-1H-1,2,4-triazol-3-yl)propanoic acid, 1H-1,2,4-triazole-5-propanoic acid, 3-mercapto-
| Molecular Formula | C5H7N3O2S |
|---|---|
| Molecular Weight | 173.03 g/mol |
| LogP | 0.48449 |
| Topological Polar Surface Area | 81.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.0259 |
| Heavy Atoms | 11 |
| Complexity | 302.6762 |
Chemical Identifiers
| CAS Number | 125907-88-2 |
|---|---|
| SMILES | C(CC(=O)O)C1=NC(=S)NN1 |
Product Overview
3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid (CAS 125907-88-2), with molecular formula C5H7N3O2S and molecular weight 173.03 g/mol. IUPAC: 3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanoic acid.
Chemical Property Profile of 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid
Property Insights of 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid
The XLogP value of 0.48449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid. The TPSA of 81.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid has 3 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-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid?
The CAS number of 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid is 125907-88-2.
What is the molecular formula of 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid?
The molecular formula of 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid is C5H7N3O2S.
What is the molecular weight of 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid?
The molecular weight of 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid is 173.03 g/mol.
Where can I buy 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid?
You can request a quote for 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-mercapto-1H-1,2,4-triazol-5-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.