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10271-55-3 | Ethanone, 2-(ethylthio)-1-phenyl-
CAS No: 10271-55-3 Catalog No: AG000872 MDL No:MFCD00026975
Product Description
Catalog Number:
AG000872
Chemical Name:
Ethanone, 2-(ethylthio)-1-phenyl-
CAS Number:
10271-55-3
Molecular Formula:
C10H12OS
Molecular Weight:
180.2667
MDL Number:
MFCD00026975
IUPAC Name:
2-ethylsulfanyl-1-phenylethanone
InChI:
InChI=1S/C10H12OS/c1-2-12-8-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:
OGASNHSCMVVLCJ-UHFFFAOYSA-N
SMILES:
CCSCC(=O)c1ccccc1
EC Number:
233-613-9
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.265g/mol
Monoisotopic Mass:
180.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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