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76256-33-2 | Ethanone, 1,1'-(dithiodi-2,1-phenylene)bis-
CAS No: 76256-33-2 Catalog No: AG005RCY MDL No:
Product Description
Catalog Number:
AG005RCY
Chemical Name:
Ethanone, 1,1'-(dithiodi-2,1-phenylene)bis-
CAS Number:
76256-33-2
Molecular Formula:
C16H14O2S2
Molecular Weight:
302.4112
IUPAC Name:
1-[2-[(2-acetylphenyl)disulfanyl]phenyl]ethanone
InChI:
InChI=1S/C16H14O2S2/c1-11(17)13-7-3-5-9-15(13)19-20-16-10-6-4-8-14(16)12(2)18/h3-10H,1-2H3
InChI Key:
DWYLEEOHUAYTPN-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccccc1SSc1ccccc1C(=O)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.406g/mol
Monoisotopic Mass:
302.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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