3-benzylsulfanyl-6-...

3-benzylsulfanyl-6-propoxypyridazine 5273-53-0

3-benzylsulfanyl-6-propoxypyridazine 5273-53-0

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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-propoxy-pyridazine 5273-53-0 98%

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

Identification and Related Records
【Name】
3-(benzylsulfanyl)-6-propoxypyridazine
【Iupac name】
3-benzylsulfanyl-6-propoxypyridazine
【CAS Registry number】
5273-53-0
【Synonyms】
3-(benzylsulfanyl)-6-propoxypyridazine
5273-53-0
NSC69045
AC1L5GVF
AC1Q584F
3-benzylsulfanyl-6-propoxypyridazine
AR-1E7378
NSC-69045
【Molecular Formula】
C14H16N2OS (Products with the same molecular formula)
【Molecular Weight】
260.3546
【Inchi】
InChI=1/C14H16N2OS/c1-2-10-17-13-8-9-14(16-15-13)18-11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3
【Canonical SMILES】
CCCOC1=NN=C(C=C1)SCC2=CC=CC=C2
【MOL File】
5273-53-0.mol
Chemical and Physical Properties
【Density】
1.17g/cm3
【Boiling Point】
449°C at 760 mmHg
【Refractive Index】
1.595
【Flash Point】
225.4°C
【Computed Properties】
Molecular Weight:260.35464 [g/mol]
Molecular Formula:C14H16N2OS
XLogP3-AA:3.4
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:6
Exact Mass:260.098334
MonoIsotopic Mass:260.098334
Topological Polar Surface Area:60.3
Heavy Atom Count:18
Formal Charge:0
Complexity:222
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 Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:72

 

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