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113662-56-9

113662-56-9 | Benzenamine, 2-[(methylthio)methoxy]-

CAS No: 113662-56-9 Catalog No: AG00099X MDL No:

Product Description

Catalog Number:
AG00099X
Chemical Name:
Benzenamine, 2-[(methylthio)methoxy]-
CAS Number:
113662-56-9
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
IUPAC Name:
2-(methylsulfanylmethoxy)aniline
InChI:
InChI=1S/C8H11NOS/c1-11-6-10-8-5-3-2-4-7(8)9/h2-5H,6,9H2,1H3
InChI Key:
LMWBNINQDIQFHQ-UHFFFAOYSA-N
SMILES:
CSCOc1ccccc1N

Properties

Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.056g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.242g/mol
Monoisotopic Mass:
169.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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