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88716-78-3 | Propanedinitrile, [(2-pyrimidinylthio)methylene]-
CAS No: 88716-78-3 Catalog No: AG0046YU MDL No:
Product Description
Catalog Number:
AG0046YU
Chemical Name:
Propanedinitrile, [(2-pyrimidinylthio)methylene]-
CAS Number:
88716-78-3
Molecular Formula:
C8H4N4S
Molecular Weight:
188.2092
IUPAC Name:
2-(pyrimidin-2-ylsulfanylmethylidene)propanedinitrile
InChI:
InChI=1S/C8H4N4S/c9-4-7(5-10)6-13-8-11-2-1-3-12-8/h1-3,6H
InChI Key:
SFFSBTLOVWSSOP-UHFFFAOYSA-N
SMILES:
N#CC(=CSc1ncccn1)C#N
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.016g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.208g/mol
Monoisotopic Mass:
188.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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