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
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