4-(2-((Aminothioxomethyl)amino)-2-azavinyl}-1-(methylsulfonyl)benzene

Base Information

• Chemical Name: 4-(2-((Aminothioxomethyl)amino)-2-azavinyl}-1-(methylsulfonyl)benzene
• CAS No.: 6334-23-2
• Molecular Formula: C9H11 N3 O2 S2
• Molecular Weight: 257.33
• NSC Number: 27063
• ChEMBL ID: CHEMBL1992495
• Mol file: 6334-23-2.mol

Synonyms:6334-23-2;4-(2-((Aminothioxomethyl)amino)-2-azavinyl}-1-(methylsulfonyl)benzene;NSC27063;[(E)-(4-methylsulfonylphenyl)methylideneamino]thiourea;NSC 27063;NSC-27063;SCHEMBL8738515;CHEMBL1992495;NCI27063;CCG-38054

Chemical Property of 4-(2-((Aminothioxomethyl)amino)-2-azavinyl}-1-(methylsulfonyl)benzene

Chemical Property:

• Vapor Pressure: 4.54E-09mmHg at 25°C
• Boiling Point: 471.7°C at 760 mmHg
• Flash Point: 239.1°C
• PSA: 125.02000
• Density: 1.4g/cm³
• LogP: 2.42920
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 257.02926895
• Heavy Atom Count: 16
• Complexity: 365

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)C=NNC(=S)N
• Isomeric SMILES: CS(=O)(=O)C1=CC=C(C=C1)/C=N/NC(=S)N

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