4-benzylsulfanyl-5-...

4-benzylsulfanyl-5-morpholin-4-yl-2-phenylpyridazin-3-one 5273-14-3

4-benzylsulfanyl-5-morpholin-4-yl-2-phenylpyridazin-3-one 5273-14-3

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

3(2H)-Pyridazinone,5-(4-morpholinyl)-2-phenyl-4-[(phenylmethyl)thio]- 4-benzylsulfanyl-5-morpholin-4-yl-2-phenylpyridazin-3-one 5273-14-3

Quick Details

  • Appearance:Liquid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
3(2H)-Pyridazinone,5-(4-morpholinyl)-2-phenyl-4-[(phenylmethyl)thio]-
【Iupac name】
4-benzylsulfanyl-5-morpholin-4-yl-2-phenylpyridazin-3-one
【CAS Registry number】
5273-14-3
【Synonyms】
3(2H)-Pyridazinone,4-(benzylthio)-5-morpholino-2-phenyl- (7CI,8CI)
NSC 66124
【Molecular Formula】
C21H21 N3 O2 S (Products with the same molecular formula)
【Molecular Weight】
379.4753
【Inchi】
InChI=1/C21H21N3O2S/c25-21-20(27-16-17-7-3-1-4-8-17)19(23-11-13-26-14-12-23)15-22-24(21)18-9-5-2-6-10-18/h1-10,15H,11-14,16H2
【Canonical SMILES】
C1COCCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)SCC4=CC=CC=C4
Chemical and Physical Properties
【Density】
1.26g/cm3
【Boiling Point】
521.8°Cat760mmHg
【Refractive Index】
1.652
【Flash Point】
269.3°C
【Computed Properties】
Molecular Weight:379.47534 [g/mol]
Molecular Formula:C21H21N3O2S
XLogP3-AA:3.2
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:5
Exact Mass:379.135448
MonoIsotopic Mass:379.135448
Topological Polar Surface Area:70.4
Heavy Atom Count:27
Formal Charge:0
Complexity:574
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Cation Count:1
Feature 3D Ring Count:4
Effective Rotor Count:6.2
Conformer Sampling RMSD:0.8
CID Conformer Count:21

 

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