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ETHYL 2-ISOCYANATO-4-(METHYLTHIO)BUTYRATE,97

Catalog No: FT-0625958

CAS No: 64505-12-0

Chemical Name: ETHYL 2-ISOCYANATO-4-(METHYLTHIO)BUTYRATE,97
Molecular Formula: C8H13NO3S
Molecular Weight: 203.26
InChI Key: IWXRXGRHXXLVHJ-UHFFFAOYSA-N
InChI: InChI=1S/C8H13NO3S/c1-3-12-8(11)7(9-6-10)4-5-13-2/h7H,3-5H2,1-2H3

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:	Ethyl 2-isocyanato-4-(methylthio)butyrate,
Flash_Point:	N/A
Melting_Point:	N/A
FW:	203.25900
Density:	1.12g/cm3
CAS:	64505-12-0
Bolling_Point:	155ºC 24mm
MF:	C8H13NO3S

Density:	1.12g/cm3
Computational_Chemistry:	['1. XlogP :25 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 81 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :202 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Molecular_Structure:	['1 . Molar refractive index 5300 ', '2 . Molar volume （m3/mol）1798 ', '3 . Parachor （902K）4479 ', '4 . Surface tension 384 ', '5 . Polarizability 2101']
LogP:	1.00700
Refractive_Index:	1.478
FW:	203.25900
PSA:	81.03000
MF:	C8H13NO3S
More_Info:	['1 . Appearance 。 ', '2 . Density（g/mL,25/4℃） ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index14780 ', '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 。']
Bolling_Point:	155ºC 24mm
Exact_Mass:	203.06200