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15560-11-9 | Ethanone, 1-[4-[(2-methylpropyl)thio]phenyl]-
CAS No: 15560-11-9 Catalog No: AG001O1D MDL No:
Product Description
Catalog Number:
AG001O1D
Chemical Name:
Ethanone, 1-[4-[(2-methylpropyl)thio]phenyl]-
CAS Number:
15560-11-9
Molecular Formula:
C12H16OS
Molecular Weight:
208.3198
IUPAC Name:
1-[4-(2-methylpropylsulfanyl)phenyl]ethanone
InChI:
InChI=1S/C12H16OS/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13/h4-7,9H,8H2,1-3H3
InChI Key:
WTRCFFWVBUFQAL-UHFFFAOYSA-N
SMILES:
CC(CSc1ccc(cc1)C(=O)C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.319g/mol
Monoisotopic Mass:
208.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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