1-[4-[(4-Nitrophenyl)Thio]Phenyl]Biguanide
[CAS# 20567-00-4]

Identification

• Name: 1-[4-[(4-Nitrophenyl)Thio]Phenyl]Biguanide
• Synonyms: 1-(Diaminomethylene)-2-[4-(4-Nitrophenyl)Sulfanylphenyl]Guanidine; 1-(Diaminomethylene)-2-[4-[(4-Nitrophenyl)Thio]Phenyl]Guanidine; 1-(P-((P-Nitrophenyl)Thio)Phenyl)Biguanide
• Molecular Formula: C₁₄H₁₄N₆O₂S
• Molecular Weight: 330.36
• CAS Registry Number: 20567-00-4
• SMILES: C2=C(SC1=CC=C([N+]([O-])=O)C=C1)C=CC(=C2)N=C(N=C(N)N)N
• InChI: 1S/C14H14N6O2S/c15-13(16)19-14(17)18-9-1-5-11(6-2-9)23-12-7-3-10(4-8-12)20(21)22/h1-8H,(H6,15,16,17,18,19)
• InChIKey: YJLCCMGIGCFTKQ-UHFFFAOYSA-N

Properties

• Density: 1.498g/cm³ (Cal.)
• Boiling point: 624.849°C at 760 mmHg (Cal.)
• Flash point: 331.697°C (Cal.)