2,5-Dithiocarbamide

Structural formula

Business number	03V2
Molecular formula	C2H6N4S2
Molecular weight	150
label	None yet

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:142-46-1

MDL number:MFCD00014471

EINECS number:205-537-6

RTECS number:EC1460000

BRN number:1723178

PubChem ID:None

Physical property data

1. Physical property data:

1. Character:White to off-white crystalline powder

2. Melting point (ºC ): 212ºC(decomposition)

3. Solubility:Almost insoluble in water, soluble in hot water.

Toxicological data

2. Toxicological data:

1, acute toxicity: rat oral LD: >500 mg/kg ;

Mouse abdominal cavityLC50: 100 mg/kg.

2. Chronic toxicity/Carcinogenicity

Mouse oralLDLo：655 mg/kg/78W- C;

Mouse oral TD: 1310 mg/kg/78W-C .

Ecological data

3. Ecological data:

Other harmful Effect: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index:40.15

2. Molar volume (m³/ mol):96.5

3. Isotonic specific volume (90.2K): 318.8

Mouse oral TD: 1310 mg/kg/78W-C .

Ecological data

3. Ecological data:

Other harmful Effect: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index:40.15

2. Molar volume (m³/ mol):96.5

3. Isotonic specific volume (90.2K): 318.8

4. Surface tension (dyne/cm): 119.0

5. Polarizability（10^-24cm³):15.91

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.9

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 6

6. Topological molecule polar surface area 140

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 96.6

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. SPAN>

Incompatible materials ：Strong oxidizing agent

Storage method

Save in a dry and cool place.

Synthesis method

1.Hydrazine sulfate and amine thiocyanate are obtained by condensation and rearrangement.

2.The preparation method is in the reaction Put wet hydrazine sulfate into the kettle under stirring, add a small amount of catalyst, then put in ammonium thiocyanate, open the jacket and heat the steam to reflux 3.5h, cool, discharge and filter , washed with water, vacuum filtered until dry, to obtain the finished product.

Purpose

Dithiourea is an intermediate of the fungicide Phytazole. Pesticides and pharmaceutical intermediates.

tyle=”FONT-SIZE: 9pt; FONT-FAMILY: ‘Arial’,’sans-serif’; mso-fareast-font-family: Arial”>4. Surface tension (dyne/cm):119.0

5. Polarizability（10^-24cm³):15.91

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.9

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 6

6. Topological molecule polar surface area 140

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 96.6

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. SPAN>

Incompatible materials ：Strong oxidizing agent

Storage method

Save in a dry and cool place.

Synthesis method

1.Hydrazine sulfate and amine thiocyanate are obtained by condensation and rearrangement.

2.The preparation method is in the reaction Put wet hydrazine sulfate into the kettle under stirring, add a small amount of catalyst, then put in ammonium thiocyanate, open the jacket and heat the steam to reflux 3.5h, cool, discharge and filter , washed with water, vacuum filtered until dry, to obtain the finished product.

Purpose

Dithiourea is an intermediate of the fungicide Phytazole. Pesticides and pharmaceutical intermediates.

t-family: Verdana; mso-hansi-font-family: Verdana; mso-bidi-font-family: Tahoma”>Dithiourea is an intermediate of the fungicide phyllazole. Pesticide and pharmaceutical intermediate.