4-ETHOXYCARBONYLIMIDAZOLE-2-THIOL

Catalog No: FT-0625962

CAS No: 64038-64-8

Molecular Formula: 172.21
Formula Weight: C6H8N2O2S
Inchl Key: PONOGPICUOALRU-UHFFFAOYSA-N
Inchl: InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-7-6(11)8-4/h3H,2H2,1H3,(H2,7,8,11)

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

Melting_Point:	191ºC
CAS:	64038-64-8
MF:	C6H8N2O2S
Flash_Point:	107.6ºC
Product_Name:	Ethyl 2-mercapto-1H-imidazole-4-carboxylate
Density:	1.35g/cm3
FW:	172.20500
Bolling_Point:	254.3ºC at 760 mmHg

Refractive_Index:	1.605
Flash_Point:	107.6ºC
LogP:	0.87510
Bolling_Point:	254.3ºC at 760 mmHg
FW:	172.20500
PSA:	93.78000
Computational_Chemistry:	['1. XlogP :02 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :7 ', '6. TPSA 824 ', '7. Heavy Atom Count :11 ', '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']
Melting_Point:	191ºC
MF:	C6H8N2O2S
Exact_Mass:	172.03100
Molecular_Structure:	['1 . Molar refractive index 4335 ', '2 . Molar volume （m3/mol）1279 ', '3 . Parachor （902K）3541 ', '4 . Surface tension 586 ', '5 . Polarizability 1718']
Density:	1.35g/cm3
More_Info:	['1 . Appearance 。 ', '2 . Density（g/mL,25/4℃） ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）191 ', '5 . Boiling point（ºC,Atmospheric pressure） ', '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 。']