Rodanine
Structural formula
| Business number | 03UD |
|---|---|
| Molecular formula | C3H3NOS2 |
| Molecular weight | 133.19 |
| label |
2-Thio-2,4-thiazolidinedione, 2-Thio-4-thiazolidinone, silver reagent, Rhodanoic acid, 2-Thio-4-oxytetrahydrothiazole, 2-Thioxo-4-thiazolidinone, 2-Thioxo-1,3-thiazolidin-4-one, Fungicide |
Numbering system
CAS number:141-84-4
MDL number:MFCD00005488
EINECS number:205-505-1
RTECS number:VI7700000
BRN number:110701
PubChem number:24851855
Physical property data
1. Physical property data:
1.Character: light yellow crystal
2.Melting point (℃ ): 0.868
3.Boiling point (ºC): 168.5
Toxicological data
2. Toxicological data:
1, acute toxicity: rat oral LD50: 320 mg/kg;
Mice orally LD50: 225 mg/kg;
Mouse abdominal cavityLD50：200 mg/kg
Small Mouse subcutaneous LD50: 200 mg/kg;
Mouse vein LD50: 32 mL/kg.
Ecological data
3. Ecological data:
1, other harmful effects: This substance may be harmful to the environment, special attention should be paid to water bodies.
Molecular structure data
五 , Molecular property data: 1. Molar refractive index:32.78 2. Molar volume (m3/ mol):83.7 3. Isotonic specific volume (90.2K): 252.9 4. Surface tension (dyne/cm): 83.2 5. Polarizability（10-24cm3):12.99
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.7
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 5
6. Topological molecule polar surface area 86.5
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 122
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
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
Stable under normal temperature and pressure.
Storage method
Save in a dry and cool place.
Synthesis method
None yet
Purpose
Check and gravimetric determination of silver. Organic synthesis to produce phenylalanine.
argin-top-alt: auto; mso-margin-bottom-alt: auto; tab-stops: list 36.0pt 72.75pt” align=left>3. Isotonic specific volume ( 90.2K):252.9
4. Surface tension (dyne/cm): 83.2
5. Polarizability（10-24cm3):12.99
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.7
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 5
6. Topological molecule polar surface area 86.5
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 122
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
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
Stable under normal temperature and pressure.
Storage method
Save in a dry and cool place.
Synthesis method
None yet
Purpose
Check and gravimetric determination of silver. Organic synthesis to produce phenylalanine.