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']