2-ISOTHIOCHROMAN-4-ONE


Catalog No:   FT-0612723

CAS No:   4426-76-0

  • Molecular Formula:  164.23
  • Formula Weight: C9H8OS
  • Inchl Key: WXGFRIMZEZRKFH-UHFFFAOYSA-N
  • Inchl: InChI=1S/C9H8OS/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: 56-57ºC
CAS: 4426-76-0
MF: C9H8OS
Flash_Point: 173.3ºC
Product_Name: 2-Thioisochroman-4-One
Density: 1.241g/cm3
FW: 164.22400
Bolling_Point: 315.1ºC at 760 mmHg
Refractive_Index: 1.624
Flash_Point: 173.3ºC
LogP: 2.11610
Bolling_Point: 315.1ºC at 760 mmHg
PSA: 42.37000
Molecular_Structure: ['1 . Molar refractive index 4671 ', '2 . Molar volume (m3/mol)1322 ', '3 . Parachor (902K)3501 ', '4 . Surface tension 491 ', '5 . Polarizability (10 -24cm 3)1852']
Computational_Chemistry: ['1. XlogP :19 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 424 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :167 ', '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']
Melting_Point: 56-57ºC
MF: C9H8OS
Exact_Mass: 164.03000
FW: 164.22400
Density: 1.241g/cm3
More_Info: ['1 . Appearance 奶油色晶体粉末 ', '2 . Density(g/mL)1241 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)56-57 ', '5 . Boiling point(ºC)3151 ', '6 . Boiling point(ºC,05mmHg)不确定 ', '7 . Refractive index1624 ', '8 . Flash point(ºC)1734 ', '9 . Specific rotation(º)不确定 ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '11 蒸汽压(20ºC)不确定 ', '12 . Saturated vapor pressure(kPa,60ºC)不确定 ', '13 . Combustion heat(KJ/mol)不确定 ', '14 . Critical temperature(ºC)不确定 ', '15 . Critical pressure(KPa)不确定 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion(%,V/V)不确定 ', '18 . Lower limit of explosion(%,V/V)不确定 ', '19 . Solubility 不确定']
Safety_Statements: S22-S24/25
HS_Code: 2932999099

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