Rodanine

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Rodanine structural formula

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 cavityLD50200 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. Polarizability10-24cm3):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. Polarizability10-24cm3):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.

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