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Home > Imidazoles > 64299-88-3
64299-88-3 | Propanenitrile, 3-[(1H-benzimidazol-2-ylmethyl)sulfinyl]-
CAS No: 64299-88-3 Catalog No: AG00H92W MDL No:
Product Description
Catalog Number:
AG00H92W
Chemical Name:
Propanenitrile, 3-[(1H-benzimidazol-2-ylmethyl)sulfinyl]-
CAS Number:
64299-88-3
Molecular Formula:
C11H11N3OS
Molecular Weight:
233.2895
IUPAC Name:
3-(1H-benzimidazol-2-ylmethylsulfinyl)propanenitrile
InChI:
InChI=1S/C11H11N3OS/c12-6-3-7-16(15)8-11-13-9-4-1-2-5-10(9)14-11/h1-2,4-5H,3,7-8H2,(H,13,14)
InChI Key:
XTFBBRWFWMZMEM-UHFFFAOYSA-N
SMILES:
N#CCCS(=O)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.289g/mol
Monoisotopic Mass:
233.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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