200,000+ products from a single source!
sales@angenechem.com
35501-73-6 | 1-Ethyl-6-methyl-2-((5-methyl-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)quinolinium
CAS No: 35501-73-6 Catalog No: AG007AVJ MDL No:
Product Description
Catalog Number:
AG007AVJ
Chemical Name:
1-Ethyl-6-methyl-2-((5-methyl-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)quinolinium
CAS Number:
35501-73-6
Molecular Formula:
C24H26N2O3S2
Molecular Weight:
454.6048
IUPAC Name:
3-[2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazol-3-yl]propane-1-sulfonate
InChI:
InChI=1S/C24H26N2O3S2/c1-4-25-20(9-8-19-14-17(2)6-10-21(19)25)16-24-26(12-5-13-31(27,28)29)22-15-18(3)7-11-23(22)30-24/h6-11,14-16H,4-5,12-13H2,1-3H3
InChI Key:
WZUVGBPLPGVISO-UHFFFAOYSA-N
SMILES:
CC[n+]1c(ccc2c1ccc(c2)C)C=c1sc2c(n1CCCS(=O)(=O)[O-])cc(cc2)C
EC Number:
252-596-9
Properties
Complexity:
737
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.138g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.603g/mol
Monoisotopic Mass:
454.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
Related Products
© 2019 Angene International Limited. All rights Reserved.