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41426-11-3 | ethyl 1-ethyl-2-(ethylthio)naphtho[1,2-d]thiazolium sulphate
CAS No: 41426-11-3 Catalog No: AG00CUN2 MDL No:
Product Description
Catalog Number:
AG00CUN2
Chemical Name:
ethyl 1-ethyl-2-(ethylthio)naphtho[1,2-d]thiazolium sulphate
CAS Number:
41426-11-3
IUPAC Name:
1-ethyl-2-ethylsulfanylbenzo[e][1,3]benzothiazol-1-ium;ethyl sulfate
InChI:
InChI=1S/C15H16NS2.C2H6O4S/c1-3-16-14-12-8-6-5-7-11(12)9-10-13(14)18-15(16)17-4-2;1-2-6-7(3,4)5/h5-10H,3-4H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key:
IFWXWPGIVCIFJW-UHFFFAOYSA-M
EC Number:
255-360-3
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.063g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.538g/mol
Monoisotopic Mass:
399.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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