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155387-76-1 | Propanedinitrile, 2-[2-(2-benzothiazolyl)hydrazinylidene]-
CAS No: 155387-76-1 Catalog No: AG001NUY MDL No:
Product Description
Catalog Number:
AG001NUY
Chemical Name:
Propanedinitrile, 2-[2-(2-benzothiazolyl)hydrazinylidene]-
CAS Number:
155387-76-1
Molecular Formula:
C10H5N5S
Molecular Weight:
227.2452
IUPAC Name:
2-(1,3-benzothiazol-2-ylhydrazinylidene)propanedinitrile
InChI:
InChI=1S/C10H5N5S/c11-5-7(6-12)14-15-10-13-8-3-1-2-4-9(8)16-10/h1-4H,(H,13,15)
InChI Key:
IEHCADRACZMYSW-UHFFFAOYSA-N
SMILES:
N#CC(=NNc1nc2c(s1)cccc2)C#N
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.245g/mol
Monoisotopic Mass:
227.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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