3-benzylsulfanyl-6-...

3-benzylsulfanyl-6-ethoxypyridazine 5273-19-8

3-benzylsulfanyl-6-ethoxypyridazine 5273-19-8

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 98% min
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Keywords

3-benzylsulfanyl-6-ethoxy-pyridazine 5273-19-8 98%

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  • Appearance:Liquid
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  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
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Details:

Identification and Related Records
【Name】
3-(benzylsulfanyl)-6-ethoxypyridazine
【CAS Registry number】
5273-19-8
【Synonyms】
3-(benzylsulfanyl)-6-ethoxypyridazine
NSC69032
AC1L5GUF
AC1Q584E
3-benzylsulfanyl-6-ethoxypyridazine
AR-1E7375
NSC-69032
【Molecular Formula】
C13H14N2OS (Products with the same molecular formula)
【Molecular Weight】
246.3281
【Inchi】
InChI=1/C13H14N2OS/c1-2-16-12-8-9-13(15-14-12)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
【Canonical SMILES】
CCOC1=NN=C(C=C1)SCC2=CC=CC=C2
【MOL File】
5273-19-8.mol
Chemical and Physical Properties
【Density】
1.2g/cm3
【Boiling Point】
439.8°C at 760 mmHg
【Refractive Index】
1.605
【Flash Point】
219.8°C
【Computed Properties】
Molecular Weight:246.32806 [g/mol]
Molecular Formula:C13H14N2OS
XLogP3-AA:2.9
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:5
Exact Mass:246.082684
MonoIsotopic Mass:246.082684
Topological Polar Surface Area:60.3
Heavy Atom Count:17
Formal Charge:0
Complexity:210
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:1
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:84

 

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