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114493-97-9 | Propanenitrile, 3,3'-[(mercaptophosphinylidene)bis(oxy)]bis- (9CI)
CAS No: 114493-97-9 Catalog No: AG000EJ7 MDL No:
Product Description
Catalog Number:
AG000EJ7
Chemical Name:
Propanenitrile, 3,3'-[(mercaptophosphinylidene)bis(oxy)]bis- (9CI)
CAS Number:
114493-97-9
Molecular Formula:
C6H9N2O3PS
Molecular Weight:
220.1860
IUPAC Name:
3-[2-cyanoethoxy(hydroxy)phosphinothioyl]oxypropanenitrile
InChI:
InChI=1S/C6H9N2O3PS/c7-3-1-5-10-12(9,13)11-6-2-4-8/h1-2,5-6H2,(H,9,13)
InChI Key:
XRTVHVJVJVZELV-UHFFFAOYSA-N
SMILES:
N#CCCOP(=O)(OCCC#N)S
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.007g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.183g/mol
Monoisotopic Mass:
220.007g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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