Chemical Name: CYCLODODECYL ISOTHIOCYANATE
Molecular Formula: C13H23NS
Molecular Weight: 225.4
InChI Key: VSCLPFIUOOBLQJ-UHFFFAOYSA-N
InChI: InChI=1S/C13H23NS/c15-12-14-13-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	cyclododecyl isothiocyanate
Flash_Point:	167.7ºC
Melting_Point:	N/A
FW:	225.39300
Density:	0.99
CAS:	59037-64-8
Bolling_Point:	340ºC at 760 mmHg
MF:	C13H23NS

Molecular_Structure:	['1 . Molar refractive index 7028 ', '2 . Molar volume （m3/mol）2267 ', '3 . Parachor （902K）5500 ', '4 . Surface tension 346 ', '5 . Polarizability 2786']
LogP:	4.76250
Flash_Point:	167.7ºC
Refractive_Index:	1.536
FW:	225.39300
Density:	0.99
Bolling_Point:	340ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :66 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :185 ', '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:	44.45000
MF:	C13H23NS
More_Info:	['1 . Appearance 灰Yellow 刺激性Liquid ', '2 . Density（g/cm3 20 ℃）099 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC ，）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（°）1536 ', '8 . Flash point（℃）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (g/L，20℃)Water Water 解']
Exact_Mass:	225.15500