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Home > Imidazoles > 88218-04-6
88218-04-6 | 1H-Benzimidazole, 2-[(methylthio)methyl]-4-nitro-
CAS No: 88218-04-6 Catalog No: AG004BQL MDL No:
Product Description
Catalog Number:
AG004BQL
Chemical Name:
1H-Benzimidazole, 2-[(methylthio)methyl]-4-nitro-
CAS Number:
88218-04-6
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
IUPAC Name:
2-(methylsulfanylmethyl)-4-nitro-1H-benzimidazole
InChI:
InChI=1S/C9H9N3O2S/c1-15-5-8-10-6-3-2-4-7(12(13)14)9(6)11-8/h2-4H,5H2,1H3,(H,10,11)
InChI Key:
FIKRBGYGRLVZAC-UHFFFAOYSA-N
SMILES:
CSCc1nc2c([nH]1)cccc2[N+](=O)[O-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.25g/mol
Monoisotopic Mass:
223.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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