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Home > Imidazoles > 906073-33-4
906073-33-4 | 2-Butanesulfonic acid, 4-(1H-benzimidazol-2-ylthio)-
CAS No: 906073-33-4 Catalog No: AG006O13 MDL No:
Product Description
Catalog Number:
AG006O13
Chemical Name:
2-Butanesulfonic acid, 4-(1H-benzimidazol-2-ylthio)-
CAS Number:
906073-33-4
Molecular Formula:
C11H14N2O3S2
Molecular Weight:
286.3705
IUPAC Name:
4-(1H-benzimidazol-2-ylsulfanyl)butane-2-sulfonic acid
InChI:
InChI=1S/C11H14N2O3S2/c1-8(18(14,15)16)6-7-17-11-12-9-4-2-3-5-10(9)13-11/h2-5,8H,6-7H2,1H3,(H,12,13)(H,14,15,16)
InChI Key:
JZFXWPZMFXBFNN-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)O)CCSc1nc2c([nH]1)cccc2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.364g/mol
Monoisotopic Mass:
286.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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