Methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate

Catalog No: FT-0631087

CAS No: 117337-19-6

Chemical Name: Methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate
Molecular Formula: C15H15ClFN3O3S2
Molecular Weight: 403.9 g/mol
InChI Key: ZCNQYNHDVRPZIH-UHFFFAOYSA-N
InChI: InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3

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

Symbol:	GHS07, GHS09
CAS:	117337-19-6
Flash_Point:	258.3ºC
Product_Name:	fluthiacet-methyl
Bolling_Point:	503.5ºC at 760 mmHg
FW:	403.87900
Melting_Point:	104.6ºC
MF:	C15H15ClFN3O3S2
Density:	1.57 g/cm3

Refractive_Index:	1.69
Vapor_Pressure:	2.9E-10mmHg at 25°C
Flash_Point:	258.3ºC
LogP:	2.79510
Bolling_Point:	503.5ºC at 760 mmHg
FW:	403.87900
PSA:	119.13000
Computational_Chemistry:	['1. XlogP :39 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 113 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :568 ', '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']
Melting_Point:	104.6ºC
MF:	C15H15ClFN3O3S2
Exact_Mass:	403.02300
Molecular_Structure:	['1. Molar refractive index 9799 ', '2. Molar volume 2562 ', '3. Parachor （902K）7081 ', '4. Surface tension 583 ', '5. Dielectric constant N/A ', '6. Polarizability 3884 ', '7. Single isotope mass 403022737 Da ', '8. Nominal mass 403 Da ', '9. Average mass 4038793 Da']
Density:	1.57 g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）Unknow ', '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,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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 Unknow']