4-(1H-Imidazol-1-yl)benzenecarbothioamide

Base Information

• Chemical Name: 4-(1H-Imidazol-1-yl)benzenecarbothioamide
• CAS No.: 423769-74-8
• Molecular Formula: C10H9 N3 S
• Molecular Weight: 203.26400
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID30380120
• Wikidata: Q82170188
• Mol file: 423769-74-8.mol

Synonyms:4-(1H-Imidazol-1-yl)benzenecarbothioamide;423769-74-8;4-(1H-Imidazol-1-yl)benzothioamide;4-imidazol-1-ylbenzenecarbothioamide;Benzenecarbothioamide,4-(1H-imidazol-1-yl)-;DTXSID30380120;MFCD03659704;AKOS000217963;MS-22202;CS-0360015;FT-0616472;4-(1H-imidazol-1-yl)benzene-1-carbothioamide;A923967;J-513214;4-(1H-Imidazol-1-yl)benzenecarbothioamide, AldrichCPR

Chemical Property of 4-(1H-Imidazol-1-yl)benzenecarbothioamide

Chemical Property:

• Vapor Pressure: 2.17E-06mmHg at 25°C
• Melting Point: 199oC
• Boiling Point: 393.2oC at 760 mmHg
• Flash Point: 191.6oC
• PSA: 75.93000
• Density: 1.29g/cm3
• LogP: 2.20680
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.05171847
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

97% ^*data from raw suppliers

4-(1H-Imidazol-1-yl)benzenecarbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=S)N)N2C=CN=C2