FT-0616819 CAS:53053-51-3 chemical structure

METHYL 4-(METHYLTHIO)BUTYRATE

Name: METHYL 4-(METHYLTHIO)BUTYRATE
Rating: 4.5 (11 reviews)

Catalog No: FT-0616819

CAS No: 53053-51-3

Molecular Formula: 148.23
Formula Weight: C6H12O2S
Inchl Key: HQDLZISNHUMXEA-UHFFFAOYSA-N
Inchl: InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3

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

FW:	148.22300
CAS:	53053-51-3
Melting_Point:	N/A
Bolling_Point:	114-115ºC 40mm
MF:	C6H12O2S
Product_Name:	methyl 4-methylsulfanylbutanoate
Flash_Point:	72ºC
Density:	N/A

FW:	148.22300
MF:	C6H12O2S
Refractive_Index:	1.466
Bolling_Point:	114-115ºC 40mm
Exact_Mass:	148.05600
PSA:	51.60000
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 516 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :831 ', '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']
LogP:	1.30260
Flash_Point:	72ºC
More_Info:	['1 . Appearance Liquid ', '2 . Density（g/mL,25ºC）1036 ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，40mm hg）114-115 ', '7 . Refractive index14660 ', '8 . Flash point（°C）72 ', '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 难溶解于Water 的']