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113881-68-8 | Benzene, [[1-methylene-2-(phenylsulfonyl)propyl]thio]-
CAS No: 113881-68-8 Catalog No: AG0009YQ MDL No:
Product Description
Catalog Number:
AG0009YQ
Chemical Name:
Benzene, [[1-methylene-2-(phenylsulfonyl)propyl]thio]-
CAS Number:
113881-68-8
Molecular Formula:
C16H16O2S2
Molecular Weight:
304.4270
IUPAC Name:
3-(benzenesulfonyl)but-1-en-2-ylsulfanylbenzene
InChI:
InChI=1S/C16H16O2S2/c1-13(19-15-9-5-3-6-10-15)14(2)20(17,18)16-11-7-4-8-12-16/h3-12,14H,1H2,2H3
InChI Key:
ULZGSAKKZIDDKK-UHFFFAOYSA-N
SMILES:
C=C(C(S(=O)(=O)c1ccccc1)C)Sc1ccccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.422g/mol
Monoisotopic Mass:
304.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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