4-[(3E)-3-(carbamothioylhydrazinylidene)butyl]-3,5-dimethylpyrazole-1-carbothioamide

Base Information

• Chemical Name: 4-[(3E)-3-(carbamothioylhydrazinylidene)butyl]-3,5-dimethylpyrazole-1-carbothioamide
• CAS No.: 10514-37-1
• Molecular Formula: C11H18 N6 S2
• Molecular Weight: 298.4308
• NSC Number: 91696
• DSSTox Substance ID: DTXSID30429806
• Mol file: 10514-37-1.mol

Synonyms:NSC91696;10514-37-1;DTXSID30429806;NSC-91696

Chemical Property of 4-[(3E)-3-(carbamothioylhydrazinylidene)butyl]-3,5-dimethylpyrazole-1-carbothioamide

Chemical Property:

• Vapor Pressure: 8.28E-11mmHg at 25°C
• Boiling Point: 517.3°C at 760 mmHg
• Flash Point: 266.7°C
• Density: 1.39g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 298.10343695
• Heavy Atom Count: 19
• Complexity: 383

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NN1C(=S)N)C)CCC(=NNC(=S)N)C
• Isomeric SMILES: CC1=C(C(=NN1C(=S)N)C)CC/C(=N/NC(=S)N)/C

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