4-methyl-2-(phenyls...

4-methyl-2-(phenylsulfanyl)quinoline(CAS No. 5465-87-2)

4-methyl-2-(phenylsulfanyl)quinoline(CAS No. 5465-87-2)

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4-methyl-2-phenylsulfanyl-quinoline 5465-87-2 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
4-methyl-2-(phenylsulfanyl)quinoline
【Iupac name】
4-methyl-2-phenylsulfanylquinoline
【CAS Registry number】
5465-87-2
【Synonyms】
4-methyl-2-(phenylsulfanyl)quinoline
5465-87-2
NSC25851
AC1L5K4D
AC1Q7E1Z
4-methyl-2-phenylsulfanylquinoline
AR-1G3323
NSC-25851
【Molecular Formula】
C16H13NS (Products with the same molecular formula)
【Molecular Weight】
251.3461
【Inchi】
InChI=1/C16H13NS/c1-12-11-16(18-13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h2-11H,1H3
【Canonical SMILES】
CC1=CC(=NC2=CC=CC=C12)SC3=CC=CC=C3
【MOL File】
5465-87-2.mol
Chemical and Physical Properties
【Density】
1.21g/cm3
【Boiling Point】
419.2°C at 760 mmHg
【Refractive Index】
1.693
【Flash Point】
207.3°C
【Computed Properties】
Molecular Weight:251.34612 [g/mol]
Molecular Formula:C16H13NS
XLogP3-AA:5
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:251.07687
MonoIsotopic Mass:251.07687
Topological Polar Surface Area:38.2
Heavy Atom Count:18
Formal Charge:0
Complexity:262
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:3
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:8

 

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