3-Amino-4-(phenylsulfanyl)benzenecarbonitrile

Base Information

• Chemical Name: 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile
• CAS No.: 337923-85-0
• Molecular Formula: C13H10N2S
• Molecular Weight: 226.3
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20370712
• Wikidata: Q82157852
• Mol file: 337923-85-0.mol

Synonyms:3-Amino-4-(phenylsulfanyl)benzenecarbonitrile;337923-85-0;3-Amino-4-(phenylthio)benzonitrile;3-amino-4-phenylsulfanylbenzonitrile;3-amino-4-(phenylsulfanyl)benzonitrile;2-Amino-4-cyanodiphenyl thioether;Oprea1_710027;SCHEMBL16676222;DTXSID20370712;JZJNVBOMYDXLIY-UHFFFAOYSA-N;MFCD00793304;AKOS005069224;SB79726;10K-591S;CS-0365866;J-511597

Chemical Property of 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile

Chemical Property:

• Melting Point: 103-106°C
• PSA: 75.11000
• LogP: 3.87288
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 226.05646950
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-4-(phenylsulfanyl)benzenecarbonitrile >95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=C(C=C(C=C2)C#N)N