Molecular Formula: 222.23
Formula Weight: C8H6N4O2S
Inchl Key: GDVFHEXRJFFDDB-UHFFFAOYSA-N
Inchl: InChI=1S/C8H6N4O2S/c13-7(14)5-1-3-6(4-2-5)12-8(15)9-10-11-12/h1-4H,(H,13,14)(H,9,11,15)

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid
Flash_Point:	235.811ºC
Melting_Point:	1000 °C
FW:	222.22400
Density:	8.35 g/mL at 25 °C(lit.)
CAS:	23249-95-8
Bolling_Point:	466.301ºC at 760 mmHg
MF:	C8H6N4O2S

Molecular_Structure:	['五分子性质数据 ', '1 . Molar refractive index 5646 ', '2 . Molar volume 1325 ', '3 . Parachor (902K)3871 ', '4 表面张力(dyne/cm)727 5 . Polarizability (10-24cm', '3) 2238']
Flash_Point:	235.811ºC
Refractive_Index:	1.964
FW:	222.22400
Density:	8.35 g/mL at 25 °C(lit.)
Bolling_Point:	466.301ºC at 760 mmHg
Melting_Point:	1000 °C
Computational_Chemistry:	['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 109 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :312 ', '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']
LogP:	0.64920
Water_Solubility:	insoluble
PSA:	119.70000
MF:	C8H6N4O2S
More_Info:	['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow ', '5. Boiling point（ºC,Atmospheric pressure）Unknow ', '6. Boiling point（ºC,52kPa）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（kPa,25ºC）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']
Vapor_Pressure:	0mmHg at 25°C
Exact_Mass:	222.02100