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94349-57-2 | POTASSIUM 2-HYDRAZONO-2,3-DIHYDRO-3-METHYLBENZO[D]THIAZOLE-5-SULFONATE
CAS No: 94349-57-2 Catalog No: AG006BDG MDL No:
Product Description
Catalog Number:
AG006BDG
Chemical Name:
POTASSIUM 2-HYDRAZONO-2,3-DIHYDRO-3-METHYLBENZO[D]THIAZOLE-5-SULFONATE
CAS Number:
94349-57-2
Molecular Formula:
C8H8KN3O3S2
Molecular Weight:
297.3957
IUPAC Name:
potassium;(2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonate
InChI:
InChI=1S/C8H9N3O3S2.K/c1-11-6-4-5(16(12,13)14)2-3-7(6)15-8(11)10-9;/h2-4H,9H2,1H3,(H,12,13,14);/q;+1/p-1/b10-8+;
InChI Key:
BTQPEECHFUDJPL-VRTOBVRTSA-M
SMILES:
NN=c1sc2c(n1C)cc(cc2)S(=O)(=O)[O-].[K+]
EC Number:
305-176-5
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
296.964g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.388g/mol
Monoisotopic Mass:
296.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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