Home Other Building Blocks 2-methyl-3-[(methylsulfanyl)methyl]aniline

2-methyl-3-[(methylsulfanyl)methyl]aniline

CAS No.:
1179681-32-3
Catalog Number:
AG01AJ3V
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
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Product Description
Catalog Number:
AG01AJ3V
Chemical Name:
2-methyl-3-[(methylsulfanyl)methyl]aniline
CAS Number:
1179681-32-3
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD12823660
IUPAC Name:
2-methyl-3-(methylsulfanylmethyl)aniline
InChI:
InChI=1S/C9H13NS/c1-7-8(6-11-2)4-3-5-9(7)10/h3-5H,6,10H2,1-2H3
InChI Key:
YKCJZELUPKIFSW-UHFFFAOYSA-N
SMILES:
Cc1c(CSC)cccc1N
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:
2.1  
Properties