Home Other Building Blocks 2-(methylsulfanyl)-1-phenylethan-1-one

2-(methylsulfanyl)-1-phenylethan-1-one

CAS No.:
5398-93-6
Catalog Number:
AG01A8KN
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
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Product Description
Catalog Number:
AG01A8KN
Chemical Name:
2-(methylsulfanyl)-1-phenylethan-1-one
CAS Number:
5398-93-6
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD00093868
IUPAC Name:
2-methylsulfanyl-1-phenylethanone
InChI:
InChI=1S/C9H10OS/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
JFYSSGJLQCEDFN-UHFFFAOYSA-N
SMILES:
CSCC(=O)c1ccccc1
NSC Number:
3664
Properties
Complexity:
128  
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:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties