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Home > Imidazoles > 88218-06-8
88218-06-8 | 1H-Benzimidazole, 2-[(ethylthio)methyl]-4-nitro-
CAS No: 88218-06-8 Catalog No: AG004BE7 MDL No:
Product Description
Catalog Number:
AG004BE7
Chemical Name:
1H-Benzimidazole, 2-[(ethylthio)methyl]-4-nitro-
CAS Number:
88218-06-8
Molecular Formula:
C10H11N3O2S
Molecular Weight:
237.2782
IUPAC Name:
2-(ethylsulfanylmethyl)-4-nitro-1H-benzimidazole
InChI:
InChI=1S/C10H11N3O2S/c1-2-16-6-9-11-7-4-3-5-8(13(14)15)10(7)12-9/h3-5H,2,6H2,1H3,(H,11,12)
InChI Key:
OPPYFRLSAVYGPH-UHFFFAOYSA-N
SMILES:
CCSCc1nc2c([nH]1)cccc2[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.277g/mol
Monoisotopic Mass:
237.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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