Molecular Formula: 219.35
Formula Weight: C13H17NS
Inchl Key: HZGOUCYIYIFQHX-UHFFFAOYSA-N
Inchl: InChI=1S/C13H17NS/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	140°C 5mm
MF:	C13H17NS
Density:	1,01 g/cm3
FW:	219.34600
Product_Name:	2-isothiocyanato-1,3-di(propan-2-yl)benzene
CAS:	25343-70-8
Flash_Point:	139-140°C/5mm
Melting_Point:	N/A

Bolling_Point:	140°C 5mm
Vapor_Pressure:	0.00139mmHg at 25°C
LogP:	4.66770
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）101 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,5mmhg）139-140 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index15830 ', '8 . Flash point（ºC）>110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kpa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Computational_Chemistry:	['1. XlogP :56 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :225 ', '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']
Exact_Mass:	219.10800
MF:	C13H17NS
Density:	1,01 g/cm3
Refractive_Index:	1.5830
PSA:	44.45000
Flash_Point:	139-140°C/5mm
Molecular_Structure:	['1 . Molar refractive index 6954 ', '2 . Molar volume （m3/mol）2232 ', '3 . Parachor （902K）5199 ', '4 . Surface tension 294 ', '5 . Polarizability （10 -24cm 3）2757']
FW:	219.34600