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89337-13-3 | Pyridinium, 1-[[(diethoxyphosphinyl)imino](methylthio)methyl]-
CAS No: 89337-13-3 Catalog No: AG003YDM MDL No:
Product Description
Catalog Number:
AG003YDM
Chemical Name:
Pyridinium, 1-[[(diethoxyphosphinyl)imino](methylthio)methyl]-
CAS Number:
89337-13-3
Molecular Formula:
C11H18N2O3PS+
Molecular Weight:
289.3110
IUPAC Name:
methyl N-diethoxyphosphorylpyridin-1-ium-1-carboximidothioate
InChI:
InChI=1S/C11H18N2O3PS/c1-4-15-17(14,16-5-2)12-11(18-3)13-9-7-6-8-10-13/h6-10H,4-5H2,1-3H3/q+1
InChI Key:
OQECUGYZVRDLOX-UHFFFAOYSA-N
SMILES:
CCOP(=O)(N=C([n+]1ccccc1)SC)OCC
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.078g/mol
Formal Charge:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.31g/mol
Monoisotopic Mass:
289.078g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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