1-Piperazinecarbothioamide, 4-methyl-N-(4-((4-nitrophenyl)amino)phenyl)-, 4-oxide

Base Information

• Chemical Name: 1-Piperazinecarbothioamide, 4-methyl-N-(4-((4-nitrophenyl)amino)phenyl)-, 4-oxide
• CAS No.: 113962-61-1
• Molecular Formula: C18H21 N5 O3 S
• Molecular Weight: 387.46
• DSSTox Substance ID: DTXSID40150619
• Mol file: 113962-61-1.mol

Synonyms:CGP 13231;CGP-13231

Chemical Property of 1-Piperazinecarbothioamide, 4-methyl-N-(4-((4-nitrophenyl)amino)phenyl)-, 4-oxide

Chemical Property:

• PSA: 134.64000
• LogP: 3.86110
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 387.13651072
• Heavy Atom Count: 27
• Complexity: 520

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCN(CC1)C(=S)NC2=CC=C(C=C2)NC3=CC=C(C=C3)[N+](=O)[O-])[O-]