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89025-67-2 | 2(1H)-Pyridinethione, 1-[(1-oxohexadecyl)oxy]-
CAS No: 89025-67-2 Catalog No: AG0042RL MDL No:
Product Description
Catalog Number:
AG0042RL
Chemical Name:
2(1H)-Pyridinethione, 1-[(1-oxohexadecyl)oxy]-
CAS Number:
89025-67-2
Molecular Formula:
C21H35NO2S
Molecular Weight:
365.5731
IUPAC Name:
(2-sulfanylidenepyridin-1-yl) hexadecanoate
InChI:
InChI=1S/C21H35NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(23)24-22-19-16-15-17-20(22)25/h15-17,19H,2-14,18H2,1H3
InChI Key:
JSFOGYMGVZSWAX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)On1ccccc1=S
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.239g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.576g/mol
Monoisotopic Mass:
365.239g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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