Name: 2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid
Brand: FINETECH INDUSTRY LIMITED
SKU: FT-0753651
Availability: InStock

Catalog No: FT-0753651

CAS No: 82964-04-3

Chemical Name: 2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid
Molecular Formula: C16H14F3NO3S
Molecular Weight: 357.3
InChI Key: LUBHDINQXIHVLS-UHFFFAOYSA-N
InChI: InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)

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

Base Information
Chemical Information

Melting_Point:	N/A
FW:	357.348
CAS:	82964-04-3
MF:	C16H14F3NO3S
Flash_Point:	255.0±31.5 °C
Product_Name:	Tolrestat
Bolling_Point:	498.1±55.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm3

Refractive_Index:	1.602
Vapor_Pressure:	0.0±1.3 mmHg at 25°C
Flash_Point:	255.0±31.5 °C
LogP:	3.41
Bolling_Point:	498.1±55.0 °C at 760 mmHg
FW:	357.348
PSA:	81.86000
Computational_Chemistry:	['1. XlogP :37 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 819 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :486 ', '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']
MF:	C16H14F3NO3S
Exact_Mass:	357.064636
Molecular_Structure:	['1 . Molar refractive index 8759 ', '2 . Molar volume 2553 ', '3 . Parachor （902K）6786 ', '4 . Surface tension 499 ', '5 . Polarizability 3472']
Density:	1.4±0.1 g/cm3