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Home > Pyridines > 138117-15-4
138117-15-4 | Tetradecanethioic acid, 14-oxo-, S-2-pyridinyl ester
CAS No: 138117-15-4 Catalog No: AG00180K MDL No:
Product Description
Catalog Number:
AG00180K
Chemical Name:
Tetradecanethioic acid, 14-oxo-, S-2-pyridinyl ester
CAS Number:
138117-15-4
Molecular Formula:
C19H29NO2S
Molecular Weight:
335.5041
IUPAC Name:
S-pyridin-2-yl 14-oxotetradecanethioate
InChI:
InChI=1S/C19H29NO2S/c21-17-13-9-7-5-3-1-2-4-6-8-10-15-19(22)23-18-14-11-12-16-20-18/h11-12,14,16-17H,1-10,13,15H2
InChI Key:
RSYUSBHYGSDGEJ-UHFFFAOYSA-N
SMILES:
O=CCCCCCCCCCCCCC(=O)Sc1ccccn1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.192g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.506g/mol
Monoisotopic Mass:
335.192g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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