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86319-91-7 | 1,3-Butanedione,1-(2-benzothiazolyl)-, 3-(2-phenylhydrazone)
CAS No: 86319-91-7 Catalog No: AG004RIO MDL No:
Product Description
Catalog Number:
AG004RIO
Chemical Name:
1,3-Butanedione,1-(2-benzothiazolyl)-, 3-(2-phenylhydrazone)
CAS Number:
86319-91-7
Molecular Formula:
C17H15N3OS
Molecular Weight:
309.3855
IUPAC Name:
(3E)-1-(1,3-benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one
InChI:
InChI=1S/C17H15N3OS/c1-12(19-20-13-7-3-2-4-8-13)11-15(21)17-18-14-9-5-6-10-16(14)22-17/h2-10,20H,11H2,1H3/b19-12+
InChI Key:
FUZKQTUYCHZESE-XDHOZWIPSA-N
SMILES:
CC(=NNc1ccccc1)CC(=O)c1nc2c(s1)cccc2
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
309.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.387g/mol
Monoisotopic Mass:
309.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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