3-PHENYLPROPYL ISOTHIOCYANATE

Catalog No: FT-0627518

CAS No: 2627-27-2

Chemical Name: 3-PHENYLPROPYL ISOTHIOCYANATE
Molecular Formula: C10H11NS
Molecular Weight: 177.27 g/mol
InChI Key: GRUOGLPIAPZLHJ-UHFFFAOYSA-N
InChI: InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2

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

Melting_Point:	N/A
CAS:	2627-27-2
MF:	C10H11NS
Flash_Point:	156-160°C/12mm
Product_Name:	3-isothiocyanatopropylbenzene
Density:	1.07
FW:	177.26600
Bolling_Point:	156 °C

Refractive_Index:	1.5780
Vapor_Pressure:	0.00302mmHg at 25°C
Flash_Point:	156-160°C/12mm
LogP:	2.72200
Bolling_Point:	156 °C
FW:	177.26600
PSA:	44.45000
Computational_Chemistry:	['1. XlogP :39 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :155 ', '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']
MF:	C10H11NS
Exact_Mass:	177.06100
Molecular_Structure:	['1 . Molar refractive index 5646 ', '2 . Molar volume （m3/mol）1783 ', '3 . Parachor （902K）4341 ', '4 . Surface tension 351 ', '5 . Polarizability 2238']
Density:	1.07
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）107 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）156 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index1578 ', '8 . Flash point（ºC）156-160 ', '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']