![[(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid structure](/static/products/3706/37060-36-9.webp)
[(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid
TL;DR: [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid (CAS 37060-36-9) is a chemical compound with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: ChemDiv1_008717, [(4-phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid, [(4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid, KST-1A4309, 2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
| Molecular Formula | C10H9N3O2S |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.04155 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 37060-36-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=NN=C2SCC(=O)O |
| InChIKey | HBNMWSBTNLONCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid (CAS 37060-36-9), with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol. IUPAC: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Property Insights of [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid has 1 hydrogen bond donor(s) and 5 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 [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
The CAS number of [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid is 37060-36-9.
What is the molecular formula of [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
The molecular formula of [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid is C10H9N3O2S.
What is the molecular weight of [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
The molecular weight of [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid is 235.04 g/mol.
Where can I buy [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
You can request a quote for [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(4-Phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.