4-(Methylthio)phenylisocyanide

Base Information

• Chemical Name: 4-(Methylthio)phenylisocyanide
• CAS No.: 463946-41-0
• Molecular Formula: C8H7NS
• Molecular Weight: 149.21300
• DSSTox Substance ID: DTXSID30375738
• Nikkaji Number: J2.401.225E
• Wikidata: Q82164400
• Mol file: 463946-41-0.mol

Synonyms:4-(Methylthio)phenylisocyanide;463946-41-0;1-isocyano-4-methylsulfanylbenzene;1-isocyano-4-(methylsulfanyl)benzene;SCHEMBL327111;4-(Methylthio)phenyl isocyanide;DTXSID30375738;AKOS006342834;FT-0726331;EN300-1177168

Chemical Property of 4-(Methylthio)phenylisocyanide

Chemical Property:

• PSA: 25.30000
• LogP: 2.19000
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 149.02992040
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

97% ^*data from raw suppliers

4-(METHYLTHIO)PHENYLISOCYANIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)[N+]#[C-]