2-[(Phenylthio)methyl]-2-cyclopenten-1-one


Catalog No:   FT-0601886

CAS No:   76047-52-4

  • Molecular Formula:  204.28800
  • Formula Weight: C12H12OS

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Product_Name: 2-(phenylsulfanylmethyl)cyclopent-2-en-1-one
Flash_Point: >230 °F
Melting_Point: N/A
FW: 204.28800
Density: 1.17 g/mL at 25ºC(lit.)
CAS: 76047-52-4
Bolling_Point: 145-150ºC0.8 mm Hg(lit.)
MF: C12H12OS
Density: 1.17 g/mL at 25ºC(lit.)
Computational_Chemistry: ['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :7 ', '6. TPSA 424 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :239 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
LogP: 3.06800
Flash_Point: >230 °F
Refractive_Index: n20/D 1.6088(lit.)
FW: 204.28800
PSA: 42.37000
MF: C12H12OS
Bolling_Point: 145-150ºC0.8 mm Hg(lit.)
Exact_Mass: 204.06100
Personal_Protective_Equipment: Eyeshields;Gloves
RIDADR: UN 3334

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