{[5-(Furan-2-yl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Base Information

• Chemical Name: {[5-(Furan-2-yl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
• CAS No.: 307327-49-7
• Molecular Formula: C12H13 N3 O3 S
• Molecular Weight: 279.31
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00952959
• Wikidata: Q82931694
• Mol file: 307327-49-7.mol

Synonyms:DTXSID00952959;{[5-(Furan-2-yl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Chemical Property of {[5-(Furan-2-yl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Chemical Property:

• Vapor Pressure: 5.58E-11mmHg at 25°C
• Boiling Point: 504°Cat760mmHg
• PKA: 3.10±0.10(Predicted)
• Flash Point: 258.6°C
• PSA: 106.45000
• Density: g/cm³
• LogP: 2.29090
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 278.05993743
• Heavy Atom Count: 19
• Complexity: 348

Purity/Quality:

97% ^*data from raw suppliers

2-((5-(Furan-2-yl)-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)aceticacid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CN1C(=NN=C1SCC(=O)[O-])C2=CC=CO2