(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide


Catalog No:   FT-0772757

CAS No:   3313-26-6

  • Chemical Name:  (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
  • Molecular Formula:  C23H29N3O2S2
  • Molecular Weight:  443.6
  • InChI Key:  GFBKORZTTCHDGY-UWVJOHFNSA-N
  • InChI:  InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-

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
Symbol: GHS07
CAS: 3313-26-6
Flash_Point: 316.1ºC
Product_Name: (Z)-Thiothixene
Bolling_Point: 599ºC at 760 mmHg
FW: 443.62500
Melting_Point: 114-118ºC
MF: C23H29N3O2S2
Density: 1.269 g/cm3
FW: 443.62500
Refractive_Index: 1.643
Flash_Point: 316.1ºC
LogP: 4.42730
Bolling_Point: 599ºC at 760 mmHg
More_Info: ['1 . Appearance 不确定 ', '2 . Densityd(g/mL,25/4℃)不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting pointmp(ºC)不确定 ', '5 . Boiling point(ºC,Atmospheric pressure)不确定 ', '6 . Boiling pointbp(ºC, 24mm )不确定 ', '7 . Refractive index不确定 ', '8 . Flash pointfp(ºC)不确定 ', '9 . Specific rotation(º)不确定 ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '11 . Vapor pressure(kPa,25ºC)不确定 ', '12 . Saturated vapor pressure(kPa,60ºC)不确定 ', '13 . Combustion heat(KJ/mol)不确定 ', '14 . Critical temperature(ºC)不确定 ', '15 . Critical pressure(KPa)不确定 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion(%,V/V)不确定 ', '18 . Lower limit of explosion(%,V/V)不确定 ', '19 . Solubility 不确定']
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 775 ', '7. Heavy Atom Count :30 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :711 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point: 114-118ºC
MF: C23H29N3O2S2
Exact_Mass: 443.17000
Molecular_Structure: ['1 . Molar refractive index 12645 ', '2 . Molar volume (m3/mol)3493 ', '3 . Parachor (902K)9488 ', '4 . Surface tension 543 ', '5 . Polarizability 5013']
Density: 1.269 g/cm3
PSA: 77.54000
Symbol: GHS07
Risk_Statements(EU): R22
RIDADR: NONH for all modes of transport
Hazard_Codes: Xn: Harmful;
Warning_Statement: P301 + P312 + P330
Safety_Statements: H302

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