S-(4-(Acetylamino)-5-methyl-4H-1,2,4-triazol-3-yl) ethanethioate

Base Information

• Chemical Name: S-(4-(Acetylamino)-5-methyl-4H-1,2,4-triazol-3-yl) ethanethioate
• CAS No.: 82049-48-7
• Molecular Formula: C7H10N4O2S
• Molecular Weight: 214.2449
• European Community (EC) Number: 279-894-1
• DSSTox Substance ID: DTXSID501002422
• Nikkaji Number: J320.368I
• Wikidata: Q82996602
• Mol file: 82049-48-7.mol

Synonyms:82049-48-7;EINECS 279-894-1;S-(4-(Acetylamino)-5-methyl-4H-1,2,4-triazol-3-yl) ethanethioate;PYDSMPVYGIXTGX-UHFFFAOYSA-N;DTXSID501002422;NS00060322;N-[3-(Acetylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]ethanimidic acid

Chemical Property of S-(4-(Acetylamino)-5-methyl-4H-1,2,4-triazol-3-yl) ethanethioate

Chemical Property:

• Refractive Index: 1.654
• PSA: 105.67000
• Density: 1.44 g/cm³
• LogP: 0.96460
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 214.05244675
• Heavy Atom Count: 14
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C(N1NC(=O)C)SC(=O)C