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Home > Imidazoles > 5533-38-0
5533-38-0 | 1-METHYL-1H-BENZIMIDAZOLE-2-SULFONIC ACID
CAS No: 5533-38-0 Catalog No: AG00DBYG MDL No:MFCD00142670
Product Description
Catalog Number:
AG00DBYG
Chemical Name:
1-METHYL-1H-BENZIMIDAZOLE-2-SULFONIC ACID
CAS Number:
5533-38-0
Molecular Formula:
C8H8N2O3S
Molecular Weight:
212.2257
MDL Number:
MFCD00142670
IUPAC Name:
1-methylbenzimidazole-2-sulfonic acid
InChI:
InChI=1S/C8H8N2O3S/c1-10-7-5-3-2-4-6(7)9-8(10)14(11,12)13/h2-5H,1H3,(H,11,12,13)
InChI Key:
IPGCDDVLUYNFOU-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2nc1S(=O)(=O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.223g/mol
Monoisotopic Mass:
212.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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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