200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 88716-82-9
88716-82-9 | Propanedinitrile, [[(1-methyl-1H-imidazol-2-yl)thio]methylene]-
CAS No: 88716-82-9 Catalog No: AG0045D1 MDL No:
Product Description
Catalog Number:
AG0045D1
Chemical Name:
Propanedinitrile, [[(1-methyl-1H-imidazol-2-yl)thio]methylene]-
CAS Number:
88716-82-9
Molecular Formula:
C8H6N4S
Molecular Weight:
190.2250
IUPAC Name:
2-[(1-methylimidazol-2-yl)sulfanylmethylidene]propanedinitrile
InChI:
InChI=1S/C8H6N4S/c1-12-3-2-11-8(12)13-6-7(4-9)5-10/h2-3,6H,1H3
InChI Key:
PEIPOIZFKVGBAD-UHFFFAOYSA-N
SMILES:
N#CC(=CSc1nccn1C)C#N
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.224g/mol
Monoisotopic Mass:
190.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
© 2019 Angene International Limited. All rights Reserved.