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.
