(S)-(+)-DBD-PY-NCS


Catalog No:   FT-0643582

CAS No:   163927-32-0

  • Chemical Name:  (S)-(+)-DBD-PY-NCS
  • Molecular Formula:  C13H15N5O3S2
  • Molecular Weight:  353.4
  • InChI Key:  YMXYIIXTKUQWPC-VIFPVBQESA-N
  • InChI:  InChI=1S/C13H15N5O3S2/c1-17(2)23(19,20)11-4-3-10(12-13(11)16-21-15-12)18-6-5-9(7-18)14-8-22/h3-4,9H,5-7H2,1-2H3/t9-/m0/s1

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
Product_Name: 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
Flash_Point: 295.4±32.9 °C
Melting_Point: 157-160ºC
FW: 353.420
Density: 1.6±0.1 g/cm3
CAS: 163927-32-0
Bolling_Point: 564.9±60.0 °C at 760 mmHg
MF: C13H15N5O3S2
LogP: 1.12
Flash_Point: 295.4±32.9 °C
Refractive_Index: 1.728
FW: 353.420
Density: 1.6±0.1 g/cm3
Bolling_Point: 564.9±60.0 °C at 760 mmHg
Computational_Chemistry: ['1. XlogP :2 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :9 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 132 ', '7. Heavy Atom Count :23 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :587 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '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: 157-160ºC
PSA: 132.37000
Exact_Mass: 353.061615
Vapor_Pressure: 0.0±1.5 mmHg at 25°C
MF: C13H15N5O3S2
HS_Code: 2935009090
WGK_Germany: 3

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