FT-0610373 CAS:58909-39-0 chemical structure

Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione

Name: Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione
Rating: 4.5 (11 reviews)

Catalog No: FT-0610373

CAS No: 58909-39-0

Molecular Formula: 159.17
Formula Weight: C4H5N3O2S
Inchl Key: UMWWHOXOVPIGFD-UHFFFAOYSA-N
Inchl: InChI=1S/C4H5N3O2S/c1-7-4(10)5-2(8)3(9)6-7/h1H3,(H,6,9)(H,5,8,10)

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

Melting_Point:	168-171 °C(lit.)
CAS:	58909-39-0
MF:	C4H5N3O2S
Flash_Point:	118.5±22.6 °C
Product_Name:	Thiotriazinone
Density:	1.8±0.1 g/cm3
FW:	159.166
Bolling_Point:	272.3±23.0 °C at 760 mmHg

Refractive_Index:	1.759
Vapor_Pressure:	0.0±1.2 mmHg at 25°C
Flash_Point:	118.5±22.6 °C
LogP:	-1.38
Bolling_Point:	272.3±23.0 °C at 760 mmHg
PSA:	102.74000
Molecular_Structure:	['1 . Molar refractive index 3704 ', '2 . Molar volume （m3/mol）981 ', '3 . Parachor （902K）3003 ', '4 . Surface tension 876 ', '5 . Polarizability 1468']
Computational_Chemistry:	['1. XlogP :-04 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :6 ', '6. TPSA 935 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :215 ', '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:	168-171 °C(lit.)
MF:	C4H5N3O2S
Exact_Mass:	159.010239
FW:	159.166
Density:	1.8±0.1 g/cm3
More_Info:	['1 . Appearance White 晶体 ', '2 . Density（g/cm3 20 ℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）168-171 ', '5 . Boiling point（ºC 6mmHg）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（°）Unknow ', '8 . Flash point（℉）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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (mg/mL，)Water Unknow']