1H-Pyrazole-5-carbothioamide

Base Information

• Chemical Name: 1H-Pyrazole-5-carbothioamide
• CAS No.: 1314902-85-6
• Molecular Formula: C4H5N3S
• Molecular Weight: 127.17
• Hs Code.: 2933199090
• European Community (EC) Number: 870-571-6
• DSSTox Substance ID: DTXSID60595427
• Wikidata: Q82490432
• Mol file: 1314902-85-6.mol

Synonyms:1H-PYRAZOLE-5-CARBOTHIOAMIDE;1314902-85-6;2H-PYRAZOLE-3-CARBOTHIOIC ACID AMIDE;1h-pyrazole-3-carbothioamide;pyrazolecarbothioamide;SCHEMBL2732306;DTXSID60595427;MFCD05662460;AKOS005258627;AKOS006339522;AB21758;DB-328923;D79737;EN300-115938;F9994-5225

Chemical Property of 1H-Pyrazole-5-carbothioamide

Chemical Property:

• Boiling Point: 363.8±34.0 °C(Predicted)
• PKA: 12.00±0.10(Predicted)
• PSA: 86.79000
• Density: 1.452±0.06 g/cm3(Predicted)
• LogP: 0.74420
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.02041835
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

NLT 98% ^*data from raw suppliers

2H-Pyrazole-3-carbothioic acid amide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NN=C1)C(=S)N