2-MERCAPTO-5-BENZIMIDAZOLECARBOXYLIC ACID

Catalog No: FT-0656625

CAS No: 58089-25-1

Chemical Name: 2-MERCAPTO-5-BENZIMIDAZOLECARBOXYLIC ACID
Molecular Formula: C8H6N2O2S
Molecular Weight: 194.21
InChI Key: DCRZVUIGGYMOBI-UHFFFAOYSA-N
InChI: InChI=1S/C8H6N2O2S/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)

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

Melting_Point:	248 °C (dec.)(lit.)
CAS:	58089-25-1
MF:	C8H6N2O2S
Flash_Point:	203.6ºC
Product_Name:	2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid
Density:	1.01 g/mL at 25 °C
FW:	194.21000
Bolling_Point:	>100 °C

Refractive_Index:	1.783
Flash_Point:	203.6ºC
LogP:	1.92370
Bolling_Point:	>100 °C
PSA:	100.97000
Molecular_Structure:	['1 . Molar refractive index 5172 ', '2 . Molar volume （m3/mol）1202 ', '3 . Parachor （902K）3754 ', '4 . Surface tension 951 ', '5 . Polarizability 2050']
Computational_Chemistry:	['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :7 ', '6. TPSA 934 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :257 ', '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:	248 °C (dec.)(lit.)
MF:	C8H6N2O2S
Exact_Mass:	194.01500
FW:	194.21000
Density:	1.01 g/mL at 25 °C
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/cm3,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC, 03mmHg）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（℃）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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (mg/mL)Water Unknow']

Risk_Statements(EU):	R36/38:Irritating to eyes and skin . R36/37/38:Irritating to eyes, respiratory system and skin . R22:Harmful if swallowed.
WGK_Germany:	2
RTECS:	AH4410000
Hazard_Codes:	Xn
HS_Code:	2933990090
Safety_Statements:	S26-S36-S37/39