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100946-65-4 | Ethanone, 1-phenyl-2-[[(phenylsulfonyl)methyl]thio]-
CAS No: 100946-65-4 Catalog No: AG0003A3 MDL No:
Product Description
Catalog Number:
AG0003A3
Chemical Name:
Ethanone, 1-phenyl-2-[[(phenylsulfonyl)methyl]thio]-
CAS Number:
100946-65-4
Molecular Formula:
C15H14O3S2
Molecular Weight:
306.3999
IUPAC Name:
2-(benzenesulfonylmethylsulfanyl)-1-phenylethanone
InChI:
InChI=1S/C15H14O3S2/c16-15(13-7-3-1-4-8-13)11-19-12-20(17,18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:
BGMMNJTUJSBMBK-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CSCS(=O)(=O)c1ccccc1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.038g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.394g/mol
Monoisotopic Mass:
306.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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