2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid
TL;DR: 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid (CAS 253779-17-8) 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.
2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid
Also Known As: 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid, BAS 02776428, SDCCGMLS-0065797.P001, 2-((1H-1,2,4-triazol-5-yl)thio)propanoic acid, 2-((1h-1,2,4-Triazol-3-yl)thio)propanoic acid
| Molecular Formula | C5H7N3O2S |
|---|---|
| Molecular Weight | 173.03 g/mol |
| LogP | 0.3699 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.0259 |
| Heavy Atoms | 11 |
| Complexity | 235.88539 |
Chemical Identifiers
| CAS Number | 253779-17-8 |
|---|---|
| SMILES | CC(C(=O)O)SC1=NC=NN1 |
Product Overview
2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid (CAS 253779-17-8), with molecular formula C5H7N3O2S and molecular weight 173.03 g/mol. IUPAC: 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid.
Chemical Property Profile of 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid
Property Insights of 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid
The XLogP value of 0.3699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid. Following Lipinski's Rule of Five, 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid has 2 hydrogen bond donor(s) and 4 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-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid?
The CAS number of 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid is 253779-17-8.
What is the molecular formula of 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid?
The molecular formula of 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid is C5H7N3O2S.
What is the molecular weight of 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid?
The molecular weight of 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid is 173.03 g/mol.
Where can I buy 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid?
You can request a quote for 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.