2-carboxymethylthiosuccinic acid 2-(carboxymethylthio)succinic acid
structural formula
| business number | 02gb |
|---|---|
| molecular formula | c6h8o6s |
| molecular weight | 208.19 |
| label |
(carboxymethylthio)succinic acid, carboxymethylmercaptosuccinic acid, carboxymethylthiosuccinic acid |
numbering system
cas number:99-68-3
mdl number:none
einecs number:202-778-9
rtecs number:none
brn number:none
pubchem id:none
physical property data
none yet
toxicological data
none yet
ecological data
none yet
molecular structure data
1. molar refractive index: 42.49
2. molar volume (cm3/mol): 125.7
3. isotonic specific volume (90.2k ): 384.2
4. surface tension (dyne/cm): 87.0
5. dielectric constant:
6. dipole moment (10-24cm3):
7. polarizability: 16.84
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -0.4
2. number of hydrogen bond donors: 3
3. number of hydrogen bond acceptors: 7
4. number of rotatable chemical bonds: 6
5. number of tautomers: none
6. topological molecule polar surface area 137
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 225
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
