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71176-53-9 | 6-Benzothiazolesulfonic acid, 2-hydrazono-2,3-dihydro-3-methyl-
CAS No: 71176-53-9 Catalog No: AG005KLE MDL No:
Product Description
Catalog Number:
AG005KLE
Chemical Name:
6-Benzothiazolesulfonic acid, 2-hydrazono-2,3-dihydro-3-methyl-
CAS Number:
71176-53-9
Molecular Formula:
C8H9N3O3S2
Molecular Weight:
259.3054
IUPAC Name:
2-hydrazinylidene-3-methyl-1,3-benzothiazole-6-sulfonic acid
InChI:
InChI=1S/C8H9N3O3S2/c1-11-6-3-2-5(16(12,13)14)4-7(6)15-8(11)10-9/h2-4H,9H2,1H3,(H,12,13,14)
InChI Key:
VIXNDJFXFKTXAR-UHFFFAOYSA-N
SMILES:
NN=c1sc2c(n1C)ccc(c2)S(=O)(=O)O
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.009g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.298g/mol
Monoisotopic Mass:
259.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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