2-[(4-methyl-5-quinolin-6-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid

Base Information

• Chemical Name: 2-[(4-methyl-5-quinolin-6-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid
• CAS No.: 306935-49-9
• Molecular Formula: C14H12 N4 O2 S
• Molecular Weight: 300.34
• DSSTox Substance ID: DTXSID40371726
• Wikidata: Q82159167
• ChEMBL ID: CHEMBL1446789
• Mol file: 306935-49-9.mol

Synonyms:306935-49-9;2-[(4-methyl-5-quinolin-6-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid;2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid;2-((4-Methyl-5-(quinolin-6-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid;{[4-Methyl-5-(quinolin-6-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid;Acetic acid, 2-[[4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl]thio]-;Maybridge1_005256;MLS000850621;SCHEMBL5717637;CHEMBL1446789;HMS556G20;DTXSID40371726;HMS2810D17;2-{[4-methyl-5-(quinolin-6-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid;SMR000456639;FT-0610819;2-(4-methyl-5-(quinolin-6-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid;2-[(4-METHYL-5-QUINOLIN-6-YL-4H-1,2,4-TRIAZOL-3-YL)THIO]ACETICACID

Chemical Property of 2-[(4-methyl-5-quinolin-6-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid

Chemical Property:

• Vapor Pressure: 2.41E-15mmHg at 25°C
• Melting Point: 238 °C
• Refractive Index: 1.727
• Boiling Point: 602°Cat760mmHg
• Flash Point: 317.9°C
• PSA: 106.20000
• Density: 1.46g/cm³
• LogP: 2.20700
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 300.06809681
• Heavy Atom Count: 21
• Complexity: 384

Purity/Quality:

98%min ^*data from raw suppliers

2-[(4-METHYL-5-QUINOLIN-6-YL-4H-1,2,4-TRIAZOL-3-YL)THIO]ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NN=C1SCC(=O)O)C2=CC3=C(C=C2)N=CC=C3