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101309-92-6 | Benzoic acid, 2-(dodecyldithio)-, methyl ester
CAS No: 101309-92-6 Catalog No: AG000475 MDL No:
Product Description
Catalog Number:
AG000475
Chemical Name:
Benzoic acid, 2-(dodecyldithio)-, methyl ester
CAS Number:
101309-92-6
Molecular Formula:
C20H32O2S2
Molecular Weight:
368.5969
IUPAC Name:
methyl 2-(dodecyldisulfanyl)benzoate
InChI:
InChI=1S/C20H32O2S2/c1-3-4-5-6-7-8-9-10-11-14-17-23-24-19-16-13-12-15-18(19)20(21)22-2/h12-13,15-16H,3-11,14,17H2,1-2H3
InChI Key:
VYVSBNXUMGMHJE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSSc1ccccc1C(=O)OC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.594g/mol
Monoisotopic Mass:
368.184g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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