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89861-47-2 | 2(3H)-Thiazolethione, 4-methyl-3-[(1-oxohexadecyl)oxy]-
CAS No: 89861-47-2 Catalog No: AG003WQV MDL No:
Product Description
Catalog Number:
AG003WQV
Chemical Name:
2(3H)-Thiazolethione, 4-methyl-3-[(1-oxohexadecyl)oxy]-
CAS Number:
89861-47-2
Molecular Formula:
C20H35NO2S2
Molecular Weight:
385.6274
IUPAC Name:
(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) hexadecanoate
InChI:
InChI=1S/C20H35NO2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)23-21-18(2)17-25-20(21)24/h17H,3-16H2,1-2H3
InChI Key:
OKGCXENMAYEMRY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)On1c(C)csc1=S
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.211g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.625g/mol
Monoisotopic Mass:
385.211g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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