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63149-04-2 | 2-methyl-3-(3-sulphonatobutyl)naphtho[1,2-d]thiazolium
CAS No: 63149-04-2 Catalog No: AG00F5T4 MDL No:
Product Description
Catalog Number:
AG00F5T4
Chemical Name:
2-methyl-3-(3-sulphonatobutyl)naphtho[1,2-d]thiazolium
CAS Number:
63149-04-2
IUPAC Name:
4-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)butane-2-sulfonate
InChI:
InChI=1S/C16H17NO3S2/c1-11(22(18,19)20)7-8-17-12(2)21-16-10-14-6-4-3-5-13(14)9-15(16)17/h3-6,9-11H,7-8H2,1-2H3
InChI Key:
KGWCEOFHZNXUTC-UHFFFAOYSA-N
EC Number:
263-952-8
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.436g/mol
Monoisotopic Mass:
335.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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