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28519-34-8 | Benzenesulfonothioic acid, 4-methyl-, S-dodecyl ester
CAS No: 28519-34-8 Catalog No: AG002VLL MDL No:
Product Description
Catalog Number:
AG002VLL
Chemical Name:
Benzenesulfonothioic acid, 4-methyl-, S-dodecyl ester
CAS Number:
28519-34-8
Molecular Formula:
C19H32O2S2
Molecular Weight:
356.5862
IUPAC Name:
1-dodecylsulfanylsulfonyl-4-methylbenzene
InChI:
InChI=1S/C19H32O2S2/c1-3-4-5-6-7-8-9-10-11-12-17-22-23(20,21)19-15-13-18(2)14-16-19/h13-16H,3-12,17H2,1-2H3
InChI Key:
RLODWPRNQMBLQI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSS(=O)(=O)c1ccc(cc1)C
NSC Number:
124771
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.184g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.583g/mol
Monoisotopic Mass:
356.184g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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