FT-0613023 CAS:4404-51-7 chemical structure

2-METHYLBUTYL ISOTHIOCYANATE

Name: 2-METHYLBUTYL ISOTHIOCYANATE
Rating: 4.5 (11 reviews)

Catalog No: FT-0613023

CAS No: 4404-51-7

Molecular Formula: 129.23
Formula Weight: C6H11NS
Inchl Key: MKWQGOSIKKPMLW-UHFFFAOYSA-N
Inchl: InChI=1S/C6H11NS/c1-3-6(2)4-7-5-8/h6H,3-4H2,1-2H3

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

Product_Name:	2-methylbutyl isothiocyanate
Flash_Point:	N/A
Melting_Point:	N/A
FW:	129.22300
Density:	0.95
CAS:	4404-51-7
Bolling_Point:	84ºC
MF:	C6H11NS

Molecular_Structure:	['1 . Molar refractive index 4020 ', '2 . Molar volume （m3/mol）1404 ', '3 . Parachor （902K）3195 ', '4 . Surface tension 268 ', '5 . Polarizability （10 -24cm 3）1593']
LogP:	2.13530
Refractive_Index:	1.484
FW:	129.22300
Density:	0.95
Bolling_Point:	84ºC
Computational_Chemistry:	['1. XlogP :33 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :947 ', '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']
PSA:	44.45000
MF:	C6H11NS
More_Info:	['1 . Appearance Colourless Liquid ', '2 . Density不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC）不确定 ', '6 . Boiling point（ºC,15mmHg）84-86 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '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']
Exact_Mass:	129.06100