1,3-Dimethyl-1H-pyrazole-5-carbothioamide

Base Information

• Chemical Name: 1,3-Dimethyl-1H-pyrazole-5-carbothioamide
• CAS No.: 844891-03-8
• Molecular Formula: C6H9 N3 S
• Molecular Weight: 155.22
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID60383609
• Wikidata: Q82175396
• Mol file: 844891-03-8.mol

Synonyms:1,3-Dimethyl-1H-pyrazole-5-carbothioamide;844891-03-8;2,5-dimethylpyrazole-3-carbothioamide;SCHEMBL14800091;DTXSID60383609;MFCD06659061;AKOS006345477;MS-22272;CS-0355708;FT-0690870;EN300-1834727;J-503917

Chemical Property of 1,3-Dimethyl-1H-pyrazole-5-carbothioamide

Chemical Property:

• Vapor Pressure: 0.000857mmHg at 25°C
• Melting Point: 170 °C
• Boiling Point: 304.8°C at 760 mmHg
• Flash Point: 138.1°C
• PSA: 75.93000
• Density: 1.29g/cm³
• LogP: 1.06300
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.05171847
• Heavy Atom Count: 10
• Complexity: 148

Purity/Quality:

98%min ^*data from raw suppliers

1,3-Dimethyl-1H-pyrazole-5-carbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1)C(=S)N)C