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61754-79-8 | Benzothiazole, 6-(3-hydroxy-3-methyl-1-triazenyl)-2-methyl- (9CI)
CAS No: 61754-79-8 Catalog No: AG00EOI4 MDL No:
Product Description
Catalog Number:
AG00EOI4
Chemical Name:
Benzothiazole, 6-(3-hydroxy-3-methyl-1-triazenyl)-2-methyl- (9CI)
CAS Number:
61754-79-8
IUPAC Name:
(E)-methyl-[(2-methyl-1,3-benzothiazol-6-yl)hydrazinylidene]-oxidoazanium
InChI:
InChI=1S/C9H10N4OS/c1-6-10-8-4-3-7(5-9(8)15-6)11-12-13(2)14/h3-5,11H,1-2H3/b13-12+
InChI Key:
KBVSGRZTBANSDB-OUKQBFOZSA-N
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
222.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.266g/mol
Monoisotopic Mass:
222.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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