Home Other Building Blocks N-cyano-N-methyl-3-(methylsulfanyl)aniline

N-cyano-N-methyl-3-(methylsulfanyl)aniline

CAS No.:
222734-73-8
Catalog Number:
AG01A05L
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
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Product Description
Catalog Number:
AG01A05L
Chemical Name:
N-cyano-N-methyl-3-(methylsulfanyl)aniline
CAS Number:
222734-73-8
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
MDL Number:
MFCD09833783
IUPAC Name:
methyl-(3-methylsulfanylphenyl)cyanamide
InChI:
InChI=1S/C9H10N2S/c1-11(7-10)8-4-3-5-9(6-8)12-2/h3-6H,1-2H3
InChI Key:
MSHIIKXFGRGEHA-UHFFFAOYSA-N
SMILES:
N#CN(c1cccc(c1)SC)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties