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88356-94-9 | 2-Propanone, 1-[4-[(phenylmethyl)thio]phenyl]-
CAS No: 88356-94-9 Catalog No: AG0046HR MDL No:
Product Description
Catalog Number:
AG0046HR
Chemical Name:
2-Propanone, 1-[4-[(phenylmethyl)thio]phenyl]-
CAS Number:
88356-94-9
Molecular Formula:
C16H16OS
Molecular Weight:
256.3626
IUPAC Name:
1-(4-benzylsulfanylphenyl)propan-2-one
InChI:
InChI=1S/C16H16OS/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChI Key:
IYVWNRXHAKCXDR-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccc(cc1)SCc1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.363g/mol
Monoisotopic Mass:
256.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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