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SEC-BUTYL ISOTHIOCYANATE

Catalog No: FT-0635288

CAS No: 4426-79-3

Chemical Name: SEC-BUTYL ISOTHIOCYANATE
Molecular Formula: C5H9NS
Molecular Weight: 115.2
InChI Key: TUFJIDJGIQOYFY-UHFFFAOYSA-N
InChI: InChI=1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3

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

Melting_Point:	N/A
CAS:	4426-79-3
MF:	C5H9NS
Flash_Point:	44.2ºC
Product_Name:	Isothiocyanic Acid Sec-Butyl Ester
Density:	0.93
FW:	115.19700
Bolling_Point:	58 °C

Refractive_Index:	1.485
Flash_Point:	44.2ºC
LogP:	1.88770
Bolling_Point:	58 °C
FW:	115.19700
PSA:	44.45000
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :841 ', '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']
MF:	C5H9NS
Exact_Mass:	115.04600
Molecular_Structure:	['1 . Molar refractive index 3559 ', '2 . Molar volume （m3/mol）1241 ', '3 . Parachor （902K）2809 ', '4 . Surface tension 261 ', '5 . Polarizability （10 -24cm 3）1411']
Density:	0.93
More_Info:	['1 . Appearance Colourless 透明to Yellow Liquid ', '2 . Density（g/mL）0955 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC）70-71 ', '6 . Boiling point（ºC,05mmHg）不确定 ', '7 . Refractive index1499-1501 ', '8 . Flash point（ºC）66 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 蒸汽压（20ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']