(2E)-2-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazinecarbothioamide

Base Information

• Chemical Name: (2E)-2-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazinecarbothioamide
• CAS No.: 6054-44-0
• Molecular Formula: C14H15ClN4S
• Molecular Weight: 306.8137
• DSSTox Substance ID: DTXSID50417407
• ChEMBL ID: CHEMBL1995503

Synonyms:(2E)-2-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazinecarbothioamide;6054-44-0;[(E)-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea;STK200977;MLS000684264;SCHEMBL4344714;CHEMBL1995503;DTXSID50417407;AKOS000327938;SMR000268071;BIM-0042911.P001;SR-01000226340;SR-01000226340-1;1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde thiosemicarbazone

Chemical Property of (2E)-2-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazinecarbothioamide

Chemical Property:

• Vapor Pressure: 1.01E-09mmHg at 25°C
• Boiling Point: 489.3°Cat760mmHg
• Flash Point: 249.7°C
• Density: 1.3g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 306.0705954
• Heavy Atom Count: 20
• Complexity: 376

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=NNC(=S)N
• Isomeric SMILES: CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)/C=N/NC(=S)N

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