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100621-89-4 | Benzene, [[2-(phenylsulfonyl)ethenyl]thio]-
CAS No: 100621-89-4 Catalog No: AG0002IW MDL No:
Product Description
Catalog Number:
AG0002IW
Chemical Name:
Benzene, [[2-(phenylsulfonyl)ethenyl]thio]-
CAS Number:
100621-89-4
Molecular Formula:
C14H12O2S2
Molecular Weight:
276.3739
IUPAC Name:
2-(benzenesulfonyl)ethenylsulfanylbenzene
InChI:
InChI=1S/C14H12O2S2/c15-18(16,14-9-5-2-6-10-14)12-11-17-13-7-3-1-4-8-13/h1-12H
InChI Key:
AFMJUMVCLFPXIW-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)C=CSc1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.368g/mol
Monoisotopic Mass:
276.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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