2-(1H-1,2,4-triazol-1-yl)ethanethioamide

Base Information

• Chemical Name: 2-(1H-1,2,4-triazol-1-yl)ethanethioamide
• CAS No.: 339009-39-1
• Molecular Formula: C4H6 N4 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID50363273
• Wikidata: Q82146883
• Mol file: 339009-39-1.mol

Synonyms:339009-39-1;2-(1H-1,2,4-triazol-1-yl)ethanethioamide;2-(1,2,4-triazol-1-yl)ethanethioamide;2-([1,2,4]TRIAZOL-1-YL)THIOACETAMIDE;SCHEMBL2260290;DTXSID50363273;MFCD00202433;AKOS000195974;CS-0364241;7F-004

Chemical Property of 2-(1H-1,2,4-triazol-1-yl)ethanethioamide

Chemical Property:

• Vapor Pressure: 9.56E-05mmHg at 25°C
• Refractive Index: 1.736
• Boiling Point: 338.8°C at 760 mmHg
• Flash Point: 158.7°C
• PSA: 88.82000
• Density: 1.51g/cm³
• LogP: 0.26450
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 142.03131738
• Heavy Atom Count: 9
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

2-(1H-1,2,4-TRIAZOL-1-YL)ETHANETHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NN(C=N1)CC(=S)N