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Home > Pyridines > 113882-49-8
113882-49-8 | 2(1H)-Pyridinethione, 1-[(1-oxo-4-pentenyl)oxy]- (9CI)
CAS No: 113882-49-8 Catalog No: AG0009ZX MDL No:
Product Description
Catalog Number:
AG0009ZX
Chemical Name:
2(1H)-Pyridinethione, 1-[(1-oxo-4-pentenyl)oxy]- (9CI)
CAS Number:
113882-49-8
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
IUPAC Name:
(2-sulfanylidenepyridin-1-yl) pent-4-enoate
InChI:
InChI=1S/C10H11NO2S/c1-2-3-7-10(12)13-11-8-5-4-6-9(11)14/h2,4-6,8H,1,3,7H2
InChI Key:
FGGXVWWGCQBJKP-UHFFFAOYSA-N
SMILES:
C=CCCC(=O)On1ccccc1=S
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.263g/mol
Monoisotopic Mass:
209.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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