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105955-94-0 | Propanedinitrile, [[1-methyl-2-(methylthio)-1H-imidazol-5-yl]methylene]-
CAS No: 105955-94-0 Catalog No: AG007W94 MDL No:
Product Description
Catalog Number:
AG007W94
Chemical Name:
Propanedinitrile, [[1-methyl-2-(methylthio)-1H-imidazol-5-yl]methylene]-
CAS Number:
105955-94-0
Molecular Formula:
C9H8N4S
Molecular Weight:
204.2516
IUPAC Name:
2-[(3-methyl-2-methylsulfanylimidazol-4-yl)methylidene]propanedinitrile
InChI:
InChI=1S/C9H8N4S/c1-13-8(3-7(4-10)5-11)6-12-9(13)14-2/h3,6H,1-2H3
InChI Key:
IQNFQUQOTGQKOQ-UHFFFAOYSA-N
SMILES:
CSc1ncc(n1C)C=C(C#N)C#N
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.251g/mol
Monoisotopic Mass:
204.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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