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N-[(2-bromophenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine

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摘 要: N-[(2-bromophenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine,Canonical SMILES: CN1C2=CC=CC=C2SC1=NN=CC3=CC=CC=C3Br,InChI: InChI=1/C15H12BrN3S/c1-19-13-8-4-5-9-14(13)20-15(19)18-17-10-11-6-2-3-7-,12(11)16/h2-10H,1H3,Molecular Weight346.24488
[Synonyms]

[Structure]
 N-[(2-bromophenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine

[ Properties Computed from Structure]
Molecular Weight346.24488 [g/mol]
Molecular FormulaC15H12BrN3S
XLogP6
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count2
Exact Mass344.993531
MonoIsotopic Mass344.993531
Topological Polar Surface Area28
Heavy Atom Count20
Formal Charge0
Complexity399
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: N-[(2-bromophenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine
Canonical SMILES: CN1C2=CC=CC=C2SC1=NN=CC3=CC=CC=C3Br
InChI: InChI=1/C15H12BrN3S/c1-19-13-8-4-5-9-14(13)20-15(19)18-17-10-11-6-2-3-7-
12(11)16/h2-10H,1H3

 
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