FT-0609653 CAS:107807-39-6 chemical structure

2,3-DIHYDRO-6-ISOTHIOCYANATO-1,4-PHTHALAZINEDIONE

Name: 2,3-DIHYDRO-6-ISOTHIOCYANATO-1,4-PHTHALAZINEDIONE
Rating: 4.5 (11 reviews)

Catalog No: FT-0609653

CAS No: 107807-39-6

Molecular Formula: 219.22
Formula Weight: C9H5N3O2S
Inchl Key: VRQLFLNVVWYSTJ-UHFFFAOYSA-N
Inchl: InChI=1S/C9H5N3O2S/c13-8-6-2-1-5(10-4-15)3-7(6)9(14)12-11-8/h1-3H,(H,11,13)(H,12,14)

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:	6-Isothiocyanato-2,3-dihydro-1,4-phthalazinedione
Flash_Point:	N/A
Melting_Point:	41ºC
FW:	219.220
Density:	1.6±0.1 g/cm3
CAS:	107807-39-6
Bolling_Point:	N/A
MF:	C9H5N3O2S

Refractive_Index:	1.767
Computational_Chemistry:	['1. XlogP :18 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :4 ', '6. TPSA 103 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :351 ', '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']
Molecular_Structure:	['1. Molar refractive index 5711 ', '2. Molar volume 1378 ', '3. Parachor （902K）3916 ', '4. Surface tension 651 ', '5. Dielectric constant N/A ', '6. Polarizability 2264 ', '7. Single isotope mass 219010246 Da ', '8. Nominal mass 219 Da ', '9. Average mass 2192199 Da']
LogP:	1.59
Melting_Point:	41ºC
FW:	219.220
PSA:	110.17000
Density:	1.6±0.1 g/cm3
MF:	C9H5N3O2S
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）41 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，14mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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']
Exact_Mass:	219.010239