1H-Imidazole-4-carbothioamide

Base Information

• Chemical Name: 1H-Imidazole-4-carbothioamide
• CAS No.: 95962-95-1
• Molecular Formula: C4H5N3S
• Molecular Weight: 127.17
• Hs Code.: 2934999090
• European Community (EC) Number: 687-954-7
• DSSTox Substance ID: DTXSID60379946
• Wikidata: Q82169970
• Mol file: 95962-95-1.mol

Synonyms:1H-Imidazole-4-carbothioamide;95962-95-1;1H-imidazole-5-carbothioamide;1H-Imidazole-4-thiocarboxamide;1H-Imidazole-4-carbothioic acid amide;4-imidazole carbothioamide;SCHEMBL4356709;SCHEMBL17374862;DTXSID60379946;CUOPCGNBQZKKNU-UHFFFAOYSA-N;VDA96295;MFCD00233357;AKOS006229217;AKOS030240953;AB92499;PS-4265;BL007545;1H-imidazole-4-carbothioamide, AldrichCPR;CS-0253218;FT-0607897;EN300-62822;J-504671

Chemical Property of 1H-Imidazole-4-carbothioamide

Chemical Property:

• Vapor Pressure: 2.75E-07mmHg at 25°C
• Melting Point: 204-207 °C
• Refractive Index: 1.73
• Boiling Point: 420.7 °C at 760 mmHg
• Flash Point: 208.3 °C
• PSA: 86.79000
• Density: 1.452 g/cm³
• LogP: 0.74420
• XLogP3: -0.1
• 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:

98%Min ^*data from raw suppliers

1H-imidazole-4-carbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: Xn:Harmful
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC=N1)C(=S)N