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Home > Imidazoles > 116460-69-6
116460-69-6 | Acetamide, 2-(1H-benzimidazol-2-ylthio)-N,N-bis(2-hydroxyethyl)-
CAS No: 116460-69-6 Catalog No: AG000CJS MDL No:
Product Description
Catalog Number:
AG000CJS
Chemical Name:
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N,N-bis(2-hydroxyethyl)-
CAS Number:
116460-69-6
Molecular Formula:
C13H17N3O3S
Molecular Weight:
295.3574
IUPAC Name:
2-(1H-benzimidazol-2-ylsulfanyl)-N,N-bis(2-hydroxyethyl)acetamide
InChI:
InChI=1S/C13H17N3O3S/c17-7-5-16(6-8-18)12(19)9-20-13-14-10-3-1-2-4-11(10)15-13/h1-4,17-18H,5-9H2,(H,14,15)
InChI Key:
HUMDQVAZNIXXLI-UHFFFAOYSA-N
SMILES:
OCCN(C(=O)CSc1nc2c([nH]1)cccc2)CCO
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.357g/mol
Monoisotopic Mass:
295.099g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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