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Home > Imidazoles > 537009-98-6
537009-98-6 | 1-pentyl-1H-benzimidazole-2-sulfonic acid
CAS No: 537009-98-6 Catalog No: AG00J8FY MDL No:MFCD03670679
Product Description
Catalog Number:
AG00J8FY
Chemical Name:
1-pentyl-1H-benzimidazole-2-sulfonic acid
CAS Number:
537009-98-6
Molecular Formula:
C12H16N2O3S
Molecular Weight:
268.3320
MDL Number:
MFCD03670679
IUPAC Name:
1-pentylbenzimidazole-2-sulfonic acid
InChI:
InChI=1S/C12H16N2O3S/c1-2-3-6-9-14-11-8-5-4-7-10(11)13-12(14)18(15,16)17/h4-5,7-8H,2-3,6,9H2,1H3,(H,15,16,17)
InChI Key:
NSLTXAOZHMNKPE-UHFFFAOYSA-N
SMILES:
CCCCCn1c2ccccc2nc1S(=O)(=O)O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.331g/mol
Monoisotopic Mass:
268.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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