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88716-72-7 | Propanedinitrile, [(2-pyridinylthio)methylene]-
CAS No: 88716-72-7 Catalog No: AG0045TV MDL No:
Product Description
Catalog Number:
AG0045TV
Chemical Name:
Propanedinitrile, [(2-pyridinylthio)methylene]-
CAS Number:
88716-72-7
Molecular Formula:
C9H5N3S
Molecular Weight:
187.2211
IUPAC Name:
2-(pyridin-2-ylsulfanylmethylidene)propanedinitrile
InChI:
InChI=1S/C9H5N3S/c10-5-8(6-11)7-13-9-3-1-2-4-12-9/h1-4,7H
InChI Key:
JDQKBYHSHKYCBB-UHFFFAOYSA-N
SMILES:
N#CC(=CSc1ccccn1)C#N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.22g/mol
Monoisotopic Mass:
187.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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