1H-Imidazole-4-carbodithioic acid

Base Information

• Chemical Name: 1H-Imidazole-4-carbodithioic acid
• CAS No.: 84824-76-0
• Molecular Formula: C4H4N2S2
• Molecular Weight: 144.22
• European Community (EC) Number: 284-227-2
• DSSTox Substance ID: DTXSID60233877
• Nikkaji Number: J309.483I
• Wikidata: Q83115545
• Mol file: 84824-76-0.mol

Synonyms:1H-Imidazole-4-carbodithioic acid;84824-76-0;4-Imidazoledithiocarboxylic acid;1H-imidazole-5-carbodithioic acid;4(5)-Imidazoledithiocarboxylic acid;EINECS 284-227-2;5-Imidazoledithiocarboxylic acid;SCHEMBL669943;SCHEMBL12997950;1H-Imidazole-4-carbodithioicacid;DTXSID60233877;4-(5)-imidazoledithiocarboxylic acid;AKOS006229265;AKOS024386586;4(5)-IMIDAZOLEDITHIOCARBOXYLICACID;FT-0653738;A840952;J-513578;4-Imidazoledithiocarboxylic acid, 70%, technical grade

Chemical Property of 1H-Imidazole-4-carbodithioic acid

Chemical Property:

• Vapor Pressure: 2.58E-05mmHg at 25°C
• Melting Point: 145 °C (dec.)(lit.)
• Refractive Index: 1.736
• Boiling Point: 369.1 °C at 760 mmHg
• PKA: 1.99±0.63(Predicted)
• Flash Point: 177 °C
• PSA: 99.57000
• Density: 1.472 g/cm³
• LogP: 1.01500
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.98159048
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Imidazoledithiocarboxylic acid 70%, technical grade ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC=N1)C(=S)S
• Uses: 4-Imidazoledithiocarboxylic acid (4(5)-imidazoledithiocarboxylic acid, imidazole-4-dithiocarboxylic acid) is suitable for use in the preparation of imidazole functionalized silica with enhanced metal uptake and 3H-imidazole-4-carbodithioic acid 4-vinyl-benzyl ester, a RAFT (reversible addition-fragmentation chain transfer) agent used in the synthesis of highly-branched polymers.It may be used in the synthesis of the following:Nucleophilic fatty acid ligands containing imidazole derivatives.Diorganotin (IV) complexes by reacting with diorganotin (IV) dichlorides.2-(Imidazol-4-yl-4′)benzimidazole by reacting with o-phenylenediamine.