Product_Name:	1-isocyanato-2-methylsulfanylbenzene
Flash_Point:	97.1ºC
Melting_Point:	N/A
FW:	165.21200
Density:	1.11g/cm3
CAS:	52260-30-7
Bolling_Point:	237ºC at 760mmHg
MF:	C8H7NOS

Molecular_Structure:	['1 . Molar refractive index 4839 ', '2 . Molar volume 1483 ', '3 . Parachor （902K）3758 ', '4 . Surface tension 412 ', '5 . Polarizability 1918 ', '6 . Dielectric constant 未确定']
LogP:	2.37580
Flash_Point:	97.1ºC
Refractive_Index:	n20/D 1.6(lit.)
FW:	165.21200
Density:	1.11g/cm3
Bolling_Point:	237ºC at 760mmHg
Computational_Chemistry:	['1. XlogP :32 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 547 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :166 ', '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']
PSA:	54.73000
MF:	C8H7NOS
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）121 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）126/5mm Hg ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index16 ', '8 . Flash point（ºC）>13 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Exact_Mass:	165.02500