Home
>
Encyclopedia
>
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbut-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbut-2-enenitrile
-
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbut-2-enenitrile
structure -
-
CAS No:
556022-79-8
-
Formula:
C16H12N4O2S
-
Chemical Name:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbut-2-enenitrile
-
Synonyms:
ZINC2661721;Z18546842;2-{[3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl]sulfanyl}pyridin-1-ium-1-olate;556022-79-8
-
CAS No:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbut-2-enenitrile Basic Attributes
324.4 g/mol
324.06809681 g/mol
Computed Properties
Molecular Weight:324.4
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:324.06809681
Monoisotopic Mass:324.06809681
Topological Polar Surface Area:124
Heavy Atom Count:23
Complexity:504
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbut-2-enenitrile
Request for Quotation