Benzene,[(2-phenyle...

Benzene,[(2-phenylethynyl)sulfonyl]- 5324-64-1

Benzene,[(2-phenylethynyl)sulfonyl]- 5324-64-1

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  • Purity: 99%
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Benzene,[(2-phenylethynyl)sulfonyl]- 5324-64-1 98%

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  • Appearance:Solid
  • 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】
Benzene,[(2-phenylethynyl)sulfonyl]-
【CAS Registry number】
5324-64-1
【Synonyms】
Benzene,[(phenylethynyl)sulfonyl]- (9CI)
(Phenylsulfonyl)phenylacetylene
NSC 2714
Phenyl phenylethynyl sulfone
Phenylsulfonylethynylbenzene
[(Phenylethynyl)sulfonyl]benzene
【Molecular Formula】
C14H10 O2 S (Products with the same molecular formula)
【Molecular Weight】
242.293
【Inchi】
InChI=1/C14H10O2S/c15-17(16,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H
【Canonical SMILES】
C1=CC=C(C=C1)C#CS(=O)(=O)C2=CC=CC=C2
Chemical and Physical Properties
【Density】
1.3g/cm3
【Boiling Point】
398.6°C at 760 mmHg
【Refractive Index】
1.645
【Flash Point】
237.9°C
【Computed Properties】
Molecular Weight:242.293 [g/mol]
Molecular Formula:C14H10O2S
XLogP3-AA:3.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:242.04015
MonoIsotopic Mass:242.04015
Topological Polar Surface Area:42.5
Heavy Atom Count:17
Formal Charge:0
Complexity:393
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:2
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:1

 

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