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Home > Imidazoles > 141400-52-4
141400-52-4 | 1H-Benzimidazole, 2-[(1-methylpropyl)dithio]-5-nitro-
CAS No: 141400-52-4 Catalog No: AG007L1R MDL No:
Product Description
Catalog Number:
AG007L1R
Chemical Name:
1H-Benzimidazole, 2-[(1-methylpropyl)dithio]-5-nitro-
CAS Number:
141400-52-4
Molecular Formula:
C11H13N3O2S2
Molecular Weight:
283.3698
IUPAC Name:
2-(butan-2-yldisulfanyl)-6-nitro-1H-benzimidazole
InChI:
InChI=1S/C11H13N3O2S2/c1-3-7(2)17-18-11-12-9-5-4-8(14(15)16)6-10(9)13-11/h4-7H,3H2,1-2H3,(H,12,13)
InChI Key:
GKOFVQMAKBQPDS-UHFFFAOYSA-N
SMILES:
CCC(SSc1nc2c([nH]1)ccc(c2)[N+](=O)[O-])C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.364g/mol
Monoisotopic Mass:
283.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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