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90331-19-4 | 1H-Benzimidazole-2-sulfonic acid, 1-ethyl-
CAS No: 90331-19-4 Catalog No: AG006RPT MDL No:MFCD00458807
Product Description
Catalog Number:
AG006RPT
Chemical Name:
1H-Benzimidazole-2-sulfonic acid, 1-ethyl-
CAS Number:
90331-19-4
Molecular Formula:
C9H10N2O3S
Molecular Weight:
226.2523
MDL Number:
MFCD00458807
IUPAC Name:
1-ethylbenzimidazole-2-sulfonic acid
InChI:
InChI=1S/C9H10N2O3S/c1-2-11-8-6-4-3-5-7(8)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,12,13,14)
InChI Key:
CPFYRNMZRZTXRQ-UHFFFAOYSA-N
SMILES:
CCn1c2ccccc2nc1S(=O)(=O)O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.25g/mol
Monoisotopic Mass:
226.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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