Rodanine

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.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/17653

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