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4-[[(3-methyl-1,,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]benz

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摘 要: 4-[[(3-methyl-1,,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]benzene-1,2-diol,Canonical SMILES: CN1C2=CC=CC=C2SC1=NN=CC3=CC(=C(C=C3)O)O,InChI: InChI=1/C15H13N3O2S/c1-18-11-4-2-3-5-14(11)21-15(18)17-16-9-10-6-7-12,(19)13(20)8-10/h2-9,19-20H,1H3,M
[Synonyms]

[Structure]
 4-[[(3-methyl-1,,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]benz

[ Properties Computed from Structure]
Molecular Weight299.34762 [g/mol]
Molecular FormulaC15H13N3O2S
XLogP4.8
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count2
Tautomer Count12
Exact Mass299.072847
MonoIsotopic Mass299.072847
Topological Polar Surface Area68.4
Heavy Atom Count21
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count2
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-[[(3-methyl-1,
3-benzothiazol-2-ylidene)hydrazinylidene]methyl]benzene-1,2-diol
Canonical SMILES: CN1C2=CC=CC=C2SC1=NN=CC3=CC(=C(C=C3)O)O
InChI: InChI=1/C15H13N3O2S/c1-18-11-4-2-3-5-14(11)21-15(18)17-16-9-10-6-7-12
(19)13(20)8-10/h2-9,19-20H,1H3

 
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