FT-0608868 CAS:51333-75-6 chemical structure

2-(METHYLTHIO)PHENYL ISOTHIOCYANATE

Name: 2-(METHYLTHIO)PHENYL ISOTHIOCYANATE
Rating: 4.5 (11 reviews)

Catalog No: FT-0608868

CAS No: 51333-75-6

Molecular Formula: 181.3
Formula Weight: C8H7NS2
Inchl Key: SIODOISHDGRELW-UHFFFAOYSA-N
Inchl: InChI=1S/C8H7NS2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3

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:	N/A
CAS:	51333-75-6
MF:	C8H7NS2
Flash_Point:	>230 °F
Product_Name:	2-(methylthio)phenyl isothiocyanate
Density:	1.227
FW:	181.27800
Bolling_Point:	149ºC (10 torr)

Refractive_Index:	n20/D 1.695(lit.)
Flash_Point:	>230 °F
LogP:	3.14280
Bolling_Point:	149ºC (10 torr)
FW:	181.27800
PSA:	69.75000
Computational_Chemistry:	['1. XlogP :38 ', '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 698 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :164 ', '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:	C8H7NS2
Exact_Mass:	181.00200
Density:	1.227
More_Info:	['1 . Appearance Liquid ', '2 . Density（g/mL,25ºC）1227 ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，10mm hg）149-150 ', '7 . Refractive indexn 20/D 1695(lit) ', '8 . Flash point（°F）>230 ', '9 . Specific rotation（ºC）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 可Water 解的']