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13792-77-3 | 1-Propanone, 2-mercapto-1-phenyl-
CAS No: 13792-77-3 Catalog No: AG001443 MDL No:MFCD00102062
Product Description
Catalog Number:
AG001443
Chemical Name:
1-Propanone, 2-mercapto-1-phenyl-
CAS Number:
13792-77-3
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD00102062
IUPAC Name:
1-phenyl-2-sulfanylpropan-1-one
InChI:
InChI=1S/C9H10OS/c1-7(11)9(10)8-5-3-2-4-6-8/h2-7,11H,1H3
InChI Key:
QYIGYCAYMJIXQH-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ccccc1)S
Properties
Complexity:
139
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:
1
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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