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63148-95-8 | 5,6-Dimethoxy-2-methyl-3-(3-sulfonatopropyl)benzothiazol-3-ium
CAS No: 63148-95-8 Catalog No: AG00EUP3 MDL No:
Product Description
Catalog Number:
AG00EUP3
Chemical Name:
5,6-Dimethoxy-2-methyl-3-(3-sulfonatopropyl)benzothiazol-3-ium
CAS Number:
63148-95-8
IUPAC Name:
3-(5,6-dimethoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
InChI:
InChI=1S/C13H17NO5S2/c1-9-14(5-4-6-21(15,16)17)10-7-11(18-2)12(19-3)8-13(10)20-9/h7-8H,4-6H2,1-3H3
InChI Key:
FZYBQTUSQBICMA-UHFFFAOYSA-N
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.401g/mol
Monoisotopic Mass:
331.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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