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2943-19-3 | Benzenesulfonothioic acid, 4-methyl-, S-(1,1-dimethylethyl) ester
CAS No: 2943-19-3 Catalog No: AG002YDG MDL No:
Product Description
Catalog Number:
AG002YDG
Chemical Name:
Benzenesulfonothioic acid, 4-methyl-, S-(1,1-dimethylethyl) ester
CAS Number:
2943-19-3
Molecular Formula:
C11H16O2S2
Molecular Weight:
244.3735
IUPAC Name:
1-tert-butylsulfanylsulfonyl-4-methylbenzene
InChI:
InChI=1S/C11H16O2S2/c1-9-5-7-10(8-6-9)15(12,13)14-11(2,3)4/h5-8H,1-4H3
InChI Key:
DWUPUYSPVAQOBQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)SC(C)(C)C
NSC Number:
342017
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.367g/mol
Monoisotopic Mass:
244.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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