Home Other Building Blocks methyl({[2-(methylsulfanyl)phenyl]methyl})amine

methyl({[2-(methylsulfanyl)phenyl]methyl})amine

CAS No.:
866781-87-5
Catalog Number:
AG01BGCH
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
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Product Description
Catalog Number:
AG01BGCH
Chemical Name:
methyl({[2-(methylsulfanyl)phenyl]methyl})amine
CAS Number:
866781-87-5
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD18890529
IUPAC Name:
N-methyl-1-(2-methylsulfanylphenyl)methanamine
InChI:
InChI=1S/C9H13NS/c1-10-7-8-5-3-4-6-9(8)11-2/h3-6,10H,7H2,1-2H3
InChI Key:
KTFPJNJKRLUABW-UHFFFAOYSA-N
SMILES:
CNCc1ccccc1SC
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.077g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.27g/mol
Monoisotopic Mass:
167.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties