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106130-34-1 | 2(3H)-Thiazolethione, 3-[(1-oxohexadecyl)oxy]-4-phenyl-
CAS No: 106130-34-1 Catalog No: AG008457 MDL No:
Product Description
Catalog Number:
AG008457
Chemical Name:
2(3H)-Thiazolethione, 3-[(1-oxohexadecyl)oxy]-4-phenyl-
CAS Number:
106130-34-1
Molecular Formula:
C25H37NO2S2
Molecular Weight:
447.6968
IUPAC Name:
(4-phenyl-2-sulfanylidene-1,3-thiazol-3-yl) hexadecanoate
InChI:
InChI=1S/C25H37NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(27)28-26-23(21-30-25(26)29)22-18-15-14-16-19-22/h14-16,18-19,21H,2-13,17,20H2,1H3
InChI Key:
PFYAHMRBNZMKTJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)On1c(=S)scc1c1ccccc1
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.227g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.696g/mol
Monoisotopic Mass:
447.227g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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