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1441-97-0

1441-97-0 | Ethanone, 1-[2-(methylthio)phenyl]-

CAS No: 1441-97-0 Catalog No: AG001IY5 MDL No:MFCD11553501

Product Description

Catalog Number:
AG001IY5
Chemical Name:
Ethanone, 1-[2-(methylthio)phenyl]-
CAS Number:
1441-97-0
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD11553501
IUPAC Name:
1-(2-methylsulfanylphenyl)ethanone
InChI:
InChI=1S/C9H10OS/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3
InChI Key:
BWAPAQBFRRLPCG-UHFFFAOYSA-N
SMILES:
CSc1ccccc1C(=O)C

Properties

Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.045g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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