FT-0609907 CAS:6095-82-5 chemical structure

2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE

Name: 2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE
Rating: 4.5 (11 reviews)

Catalog No: FT-0609907

CAS No: 6095-82-5

Molecular Formula: 177.27
Formula Weight: C10H11NS
Inchl Key: KKYMYPLVBCVDPL-UHFFFAOYSA-N
Inchl: InChI=1S/C10H11NS/c1-7-4-8(2)10(11-6-12)9(3)5-7/h4-5H,1-3H3

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

Melting_Point:	63-64°C
CAS:	6095-82-5
MF:	C10H11NS
Flash_Point:	144-145°C/10mm
Product_Name:	2-isothiocyanato-1,3,5-trimethylbenzene
Density:	1 g/cm3
FW:	177.26600
Bolling_Point:	144-145°C 10mm

Refractive_Index:	1.549
Flash_Point:	144-145°C/10mm
LogP:	3.34610
Bolling_Point:	144-145°C 10mm
PSA:	44.45000
Molecular_Structure:	['1 . Molar refractive index 5590 ', '2 . Molar volume （m3/mol）1757 ', '3 . Parachor （902K）4116 ', '4 . Surface tension 301 ', '5 . Polarizability （10 -24cm 3）2216']
Computational_Chemistry:	['1. XlogP :44 ', '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 :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :184 ', '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:	63-64°C
MF:	C10H11NS
Exact_Mass:	177.06100
FW:	177.26600
Density:	1 g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）63-64 ', '5 . Boiling point（ºC,Atmospheric pressure）145 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow。']