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
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Synthesis method
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Purpose
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