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788-86-3 | Benzene, 1-methyl-4-[[(4-methylphenyl)sulfinyl]sulfonyl]-
CAS No: 788-86-3 Catalog No: AG005501 MDL No:
Product Description
Catalog Number:
AG005501
Chemical Name:
Benzene, 1-methyl-4-[[(4-methylphenyl)sulfinyl]sulfonyl]-
CAS Number:
788-86-3
Molecular Formula:
C14H14O3S2
Molecular Weight:
294.3892
IUPAC Name:
1-methyl-4-(4-methylphenyl)sulfonylsulfinylbenzene
InChI:
InChI=1S/C14H14O3S2/c1-11-3-7-13(8-4-11)18(15)19(16,17)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChI Key:
KHHPAIREKJJDHN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.038g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.383g/mol
Monoisotopic Mass:
294.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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