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877463-43-9 | 6-Benzothiazolesulfonic acid, 3-ethyl-2,3-dihydro-2-oxo-
CAS No: 877463-43-9 Catalog No: AG004LK3 MDL No:
Product Description
Catalog Number:
AG004LK3
Chemical Name:
6-Benzothiazolesulfonic acid, 3-ethyl-2,3-dihydro-2-oxo-
CAS Number:
877463-43-9
Molecular Formula:
C9H9NO4S2
Molecular Weight:
259.3021
IUPAC Name:
3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonic acid
InChI:
InChI=1S/C9H9NO4S2/c1-2-10-7-4-3-6(16(12,13)14)5-8(7)15-9(10)11/h3-5H,2H2,1H3,(H,12,13,14)
InChI Key:
KBJFKIRTKSLNRJ-UHFFFAOYSA-N
SMILES:
CCn1c(=O)sc2c1ccc(c2)S(=O)(=O)O
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.997g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.294g/mol
Monoisotopic Mass:
258.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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