200,000+ products from a single source!
sales@angenechem.com
73972-50-6 | 3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium iodide
CAS No: 73972-50-6 Catalog No: AG005AGC MDL No:
Product Description
Catalog Number:
AG005AGC
Chemical Name:
3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium iodide
CAS Number:
73972-50-6
Molecular Formula:
C16H16INS
Molecular Weight:
381.2744
IUPAC Name:
1-(diethylamino)-3-[(2,3-dimethoxy-6-nitroacridin-9-yl)amino]propan-2-ol;dihydrochloride
InChI:
InChI=1S/C22H28N4O5.2ClH/c1-5-25(6-2)13-15(27)12-23-22-16-8-7-14(26(28)29)9-18(16)24-19-11-21(31-4)20(30-3)10-17(19)22;;/h7-11,15,27H,5-6,12-13H2,1-4H3,(H,23,24);2*1H
InChI Key:
JJXKDLJAHRXDIX-UHFFFAOYSA-N
SMILES:
CC[n+]1c(C)sc2c1cc(cc2)c1ccccc1.[I-]
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.159g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
501.405g/mol
Monoisotopic Mass:
500.159g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Frameshift mutations induced by three classes of acridines in the lacZ reversion assay in Escherichia coli: potency of responses and relationship to slipped mispairing models. | Environmental and molecular mutagenesis 20030101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.