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79762-45-1 | Dimethyltetradecylsulphonium methyl sulphate
CAS No: 79762-45-1 Catalog No: AG005HE2 MDL No:
Product Description
Catalog Number:
AG005HE2
Chemical Name:
Dimethyltetradecylsulphonium methyl sulphate
CAS Number:
79762-45-1
Molecular Formula:
C17H38O4S2
Molecular Weight:
370.6112
IUPAC Name:
dimethyl(tetradecyl)sulfanium;methyl sulfate
InChI:
InChI=1S/C16H35S.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;1-5-6(2,3)4/h4-16H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
PNLKJHBHBRSHQN-UHFFFAOYSA-M
SMILES:
COS(=O)(=O)[O-].CCCCCCCCCCCCCC[S+](C)C
EC Number:
279-253-6
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.221g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.607g/mol
Monoisotopic Mass:
370.221g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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