Home Other Building Blocks [4-methyl-2-(methylsulfanyl)phenyl]methanamine

[4-methyl-2-(methylsulfanyl)phenyl]methanamine

CAS No.:
1249234-36-3
Catalog Number:
AG019ZHZ
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
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Product Description
Catalog Number:
AG019ZHZ
Chemical Name:
[4-methyl-2-(methylsulfanyl)phenyl]methanamine
CAS Number:
1249234-36-3
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD16704947
IUPAC Name:
(4-methyl-2-methylsulfanylphenyl)methanamine
InChI:
InChI=1S/C9H13NS/c1-7-3-4-8(6-10)9(5-7)11-2/h3-5H,6,10H2,1-2H3
InChI Key:
TVOUGPNWTKSBAD-UHFFFAOYSA-N
SMILES:
CSc1cc(C)ccc1CN
Properties
Complexity:
116  
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:
2  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties