2-(carboxymethylsulfanyl)butanedioic acid

Catalog No: FT-0704284

CAS No: 99-68-3

Chemical Name: 2-(carboxymethylsulfanyl)butanedioic acid
Molecular Formula: C6H8O6S
Molecular Weight: 208.19
InChI Key: JPHVSDWIWBDHOC-UHFFFAOYSA-N
InChI: InChI=1S/C6H8O6S/c7-4(8)1-3(6(11)12)13-2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

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

Product_Name:	2-(carboxymethylsulfanyl)butanedioic acid
MF:	C6H8O6S
Bolling_Point:	411.1ºC at 760mmHg
Density:	1.654g/cm3
FW:	208.18900
Melting_Point:	N/A
Flash_Point:	202.4ºC
CAS:	99-68-3

MF:	C6H8O6S
Refractive_Index:	1.59
Flash_Point:	202.4ºC
Bolling_Point:	411.1ºC at 760mmHg
Density:	1.654g/cm3
Molecular_Structure:	['1 . Molar refractive index 4249 ', '2 . Molar volume 1257 ', '3 . Parachor （902K）3842 ', '4 . Surface tension 870 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3）7 . Polarizability 1684']
Exact_Mass:	208.00400
FW:	208.18900
Computational_Chemistry:	['1. XlogP :-04 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 137 ', '7. Heavy Atom Count :13 ', '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 :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
PSA:	137.20000