2-Thiomethylpyrimidine-4-carboxylic acid


Catalog No:   FT-0649174

CAS No:   1126-44-9

  • Molecular Formula:  170.19
  • Formula Weight: C6H6N2O2S
  • Inchl Key: IAGNLKODEFUQDV-UHFFFAOYSA-N
  • Inchl: InChI=1S/C6H6N2O2S/c1-11-6-7-3-2-4(8-6)5(9)10/h2-3H,1H3,(H,9,10)

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: N/A
CAS: 1126-44-9
MF: C6H6N2O2S
Flash_Point: 182.6±20.4 °C
Product_Name: 2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid
Density: 1.5±0.1 g/cm3
FW: 170.189
Bolling_Point: 378.4±15.0 °C at 760 mmHg
Refractive_Index: 1.623
Vapor_Pressure: 0.0±0.9 mmHg at 25°C
Flash_Point: 182.6±20.4 °C
LogP: 1.82
Bolling_Point: 378.4±15.0 °C at 760 mmHg
FW: 170.189
PSA: 88.38000
Computational_Chemistry: ['1. XlogP :09 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 884 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :154 ', '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']
MF: C6H6N2O2S
Exact_Mass: 170.014999
Molecular_Structure: ['1 . Molar refractive index 4126 ', '2 . Molar volume 1170 ', '3 . Parachor (902K)3476 ', '4 . Surface tension 778 ', '5 . Polarizability 1635']
Density: 1.5±0.1 g/cm3
HS_Code: 2933599090

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