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102677-59-8 | Benzene, [[(methylthio)phenylmethyl]sulfonyl]-
CAS No: 102677-59-8 Catalog No: AG00082J MDL No:
Product Description
Catalog Number:
AG00082J
Chemical Name:
Benzene, [[(methylthio)phenylmethyl]sulfonyl]-
CAS Number:
102677-59-8
Molecular Formula:
C14H14O2S2
Molecular Weight:
278.3898
IUPAC Name:
[benzenesulfonyl(methylsulfanyl)methyl]benzene
InChI:
InChI=1S/C14H14O2S2/c1-17-14(12-8-4-2-5-9-12)18(15,16)13-10-6-3-7-11-13/h2-11,14H,1H3
InChI Key:
LLNLTVAOJGSOPR-UHFFFAOYSA-N
SMILES:
CSC(S(=O)(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.044g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.384g/mol
Monoisotopic Mass:
278.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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