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Home> Encyclopedia > Hot Product Listed 3   > 3(2H)-Pyridazinone,4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-(4-methoxyphenyl)-
112445-61-1 structure

3(2H)-Pyridazinone,4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-(4-methoxyphenyl)-

Iupac Name:2-(6-methoxy-1,3-benzothiazol-2-yl)-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one
CAS No.:112445-61-1
Molecular Weight:367.423
Molecular Formula:C19H17N3O3S (isomer)
Names and Identifiers
Synonyms

2-(6-methoxy-1,3-benzothiazol-2-yl)-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one 3(2h)-pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-(4-methoxyphenyl)- 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-(4-methoxyphenyl)-3(2h)-pyridazinone AC1MJ702 DTXSID30150042 HE182615 LS-129897

Inchi
InChI=1S/C19H17N3O3S/c1-24-13-5-3-12(4-6-13)15-9-10-18(23)22(21-15)19-20-16-8-7-14(25-2)11-17(16)26-19/h3-8,11H,9-10H2,1-2H3
InChkey
ZLASMORQCPOZQA-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=NC4=C(S3)C=C(C=C4)OC
Properties
Density
1.37
Boiling Point
540.3°Cat760mmHg
Vapour
9.67E-12mmHg at 25°C
Refractive Index
1.679
Flash Point
280.6°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:367.423g/mol
  • Molecular Formula:C19H17N3O3S
  • Compound Is Canonicalized:True
  • Exact Mass:367.099
  • Monoisotopic Mass:367.099
  • Complexity:550
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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