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606117-09-3 | Acetonitrile, [[5-(1H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]thio]- (9CI)
CAS No: 606117-09-3 Catalog No: AG00EMLQ MDL No:
Product Description
Catalog Number:
AG00EMLQ
Chemical Name:
Acetonitrile, [[5-(1H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]thio]- (9CI)
CAS Number:
606117-09-3
IUPAC Name:
2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
InChI:
InChI=1S/C11H7N5OS/c12-3-4-18-11-16-15-10(17-11)7-1-2-8-9(5-7)14-6-13-8/h1-2,5-6H,4H2,(H,13,14)
InChI Key:
DHEIPMFNJBHDMP-UHFFFAOYSA-N
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.271g/mol
Monoisotopic Mass:
257.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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