Pseudothiohydantoin (CAS: 556-90-1) - Chemical Structure and Molecular Formula
Pseudothiohydantoin (CAS: 556-90-1) - Chemical Structure Thumbnail

Pseudothiohydantoin

Catalog No:   FT-0632387

CAS No:   556-90-1

  • Chemical Name:  Pseudothiohydantoin
  • Molecular Formula:  C3H4N2OS
  • Molecular Weight:  116.14 g/mol
  • InChI Key:  HYMJHROUVPWYNQ-UHFFFAOYSA-N
  • InChI:  InChI=1S/C3H4N2OS/c4-3-5-2(6)1-7-3/h1H2,(H2,4,5,6)
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Flash_Point: 107.1±22.6 °C
FW: 116.142
Bolling_Point: 253.5±23.0 °C at 760 mmHg
Product_Name: Pseudothiohydantoin
CAS: 556-90-1
MF: C3H4N2OS
Melting_Point: 249ºC
Density: 1.8±0.1 g/cm3
PSA: 80.75000
Bolling_Point: 253.5±23.0 °C at 760 mmHg
Molecular_Structure: ['1 . Molar refractive index 2744 ', '2 . Molar volume （m3/mol）651 ', '3 . Parachor （902K）1974 ', '4 . Surface tension 845 ', '5 . Polarizability 1088']
LogP: -0.91
More_Info: ['一物性数据 ', '1 . Appearance 晶体状粉末。 ', '2 . Melting point（ºC）248-250']
MF: C3H4N2OS
Computational_Chemistry: ['1. XlogP :-03 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :5 ', '6. TPSA 808 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :131 ', '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: 249ºC
Refractive_Index: 1.785
Flash_Point: 107.1±22.6 °C
FW: 116.142
Exact_Mass: 116.004433
Vapor_Pressure: 0.0±0.5 mmHg at 25°C
Density: 1.8±0.1 g/cm3
Hazard_Codes: Xi
Safety_Statements: S24/25

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