2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid


Catalog No:   FT-0703348

CAS No:   6295-57-4

  • Chemical Name:  2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
  • Molecular Formula:  C9H7NO2S2
  • Molecular Weight:  225.3
  • InChI Key:  ZZUQWNYNSKJLPI-UHFFFAOYSA-N
  • InChI:  InChI=1S/C9H7NO2S2/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)

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
FW: 225.287
CAS: 6295-57-4
Bolling_Point: 423.4±47.0 °C at 760 mmHg
MF: C9H7NO2S2
Product_Name: 2-(Carboxymethylthio)Benzothiazole
Melting_Point: 159°C
Flash_Point: 209.9±29.3 °C
Density: 1.5±0.1 g/cm3
Density: 1.5±0.1 g/cm3
MF: C9H7NO2S2
Flash_Point: 209.9±29.3 °C
LogP: 2.74
More_Info: ['1 . Appearance Unknow ', '2 . Density(g/mL, 25 ℃ )Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)159 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,27mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Unknow']
Bolling_Point: 423.4±47.0 °C at 760 mmHg
Exact_Mass: 224.991821
Vapor_Pressure: 0.0±1.1 mmHg at 25°C
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 104 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :225 ', '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']
PSA: 103.73000
Refractive_Index: 1.727
Melting_Point: 159°C
Molecular_Structure: ['1 . Molar refractive index 5917 ', '2 . Molar volume (m3/mol)1486 ', '3 . Parachor (902K)4436 ', '4 . Surface tension 793 ', '5 . Polarizability (10 -24cm 3)2345']
FW: 225.287
Risk_Statements(EU): R36/37/38
Hazard_Codes: Xi
HS_Code: 2934999090
Safety_Statements: S26-S36/37/39

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