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88716-80-7 | Propanedinitrile, [(2-quinolinylthio)methylene]-
CAS No: 88716-80-7 Catalog No: AG0046YT MDL No:
Product Description
Catalog Number:
AG0046YT
Chemical Name:
Propanedinitrile, [(2-quinolinylthio)methylene]-
CAS Number:
88716-80-7
Molecular Formula:
C13H7N3S
Molecular Weight:
237.2798
IUPAC Name:
2-(quinolin-2-ylsulfanylmethylidene)propanedinitrile
InChI:
InChI=1S/C13H7N3S/c14-7-10(8-15)9-17-13-6-5-11-3-1-2-4-12(11)16-13/h1-6,9H
InChI Key:
YBPFWJLYLWZTNU-UHFFFAOYSA-N
SMILES:
N#CC(=CSc1ccc2c(n1)cccc2)C#N
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.28g/mol
Monoisotopic Mass:
237.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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