4,4-Dimethyl-3-thiosemicarbazide

Base Information

• Chemical Name: 4,4-Dimethyl-3-thiosemicarbazide
• CAS No.: 6926-58-5
• Molecular Formula: C3H9N3S
• Molecular Weight: 119.191
• Hs Code.: 2930909090
• European Community (EC) Number: 674-240-5
• NSC Number: 166599
• DSSTox Substance ID: DTXSID10369978
• Nikkaji Number: J256.525K
• Mol file: 6926-58-5.mol

Synonyms:4,4-Dimethyl-3-thiosemicarbazide;6926-58-5;3-amino-1,1-dimethylthiourea;4,4-dimethylthiosemicarbazide;NSC166599;Hydrazinecarbothioamide, N,N-dimethyl-;SCHEMBL37237;4,4-dimethyl-thiosemicarbazide;DTXSID10369978;N,N-Dimethylhydrazinecarbothioamide;MFCD00041308;Hydrazinecarbothioamide,N,N-dimethyl-;N,N-Dimethylhydrazinecarbothioamide #;AKOS005207228;FS-4695;NSC-166599;4,4-Dimethyl-3-thiosemicarbazide, 98%;CS-0151362;D2096;FT-0617087;EN300-73512;Hydrazinecarbothioimidate, N,N-dimethyl-S-ethyl-;A866877

Chemical Property of 4,4-Dimethyl-3-thiosemicarbazide

Chemical Property:

• Vapor Pressure: 1.41mmHg at 25°C
• Melting Point: 153 °C
• Refractive Index: 1.577
• Boiling Point: 171.3 °C at 760 mmHg
• PKA: 11.47±0.70(Predicted)
• Flash Point: 57.4 °C
• PSA: 73.38000
• Density: 1.159 g/cm³
• LogP: 0.38740
• Storage Temp.: Refrigerator
• Water Solubility.: Slightly soluble in water.
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 119.05171847
• Heavy Atom Count: 7
• Complexity: 70.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,4-Dimethyl-3-thiosemicarbazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,Xn
• Statements: 23/25-22
• Safety Statements: 45-38-28A

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C(=S)NN
• Uses: 4,4-Dimethyl-3-thiosemicarbazide may be employed as chemical additive to investigate the corrosion inhibition of mild steel in acidic conditions.

Technology Process of 4,4-Dimethyl-3-thiosemicarbazide

There total 10 articles about 4,4-Dimethyl-3-thiosemicarbazide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 26.0%

hydrazinecarbodithioic acid methyl ester (5397-03-5) + dimethyl amine (124-40-3) → 4,4-dimethylthiosemicarbazide (6926-58-5)

Guidance literature:

In water; for 4.5h; Heating;

DOI:10.1002/jhet.5570420705

Reference yield: 22.0%

Thiram (137-26-8,93196-73-7) + hydrazone of p-bromobenzaldehyde (57477-93-7) → bis-(4-bromo-benzylidene)-hydrazine (24523-45-3,41097-38-5) + 4,4-dimethylthiosemicarbazide (6926-58-5) + 4-bromo-N,N-dimethylbenzothioamide (88023-76-1) + 5-dimethylamino-1,3,4-thiadiazole-2-thiol (2810-66-4)

Guidance literature:

In 1,4-dioxane; at 80 ℃; for 1h; Further Variations:; Temperatures; reagent ratio; Product distribution;

DOI:10.1007/BF02494686

Reference yield: 13.0%

Thiram (137-26-8,93196-73-7) + 3-nitrobenzaldehyde hydrazone (3718-22-7) → 3-nitrobenzaldehyde N-[-(3-nitrophenyl)methylidene]hydrazone (41097-40-9,1567-91-5) + 4,4-dimethylthiosemicarbazide (6926-58-5) + 5-dimethylamino-1,3,4-thiadiazole-2-thiol (2810-66-4) + N,N-dimethyl-m-nitrothiobenzamide

Guidance literature:

In 1,4-dioxane; at 80 ℃; for 1h; Further Variations:; Temperatures; reagent ratio; Product distribution;

DOI:10.1007/BF02494686

upstream raw materials:

N,N,S-trimethyldithiocarbamate

2-{[(dimethylamino)carbothioyl]sulfanyl}ethanoic acid

hydrazinecarbodithioic acid methyl ester

dimethyl amine

Downstream raw materials:

4-benzoyl-1,1-dimethylthiosemicarbazide

[5-(4-bromo-phenyl)-6H-[1,3,4]thiadiazin-2-yl]-dimethyl-amine

C₁₀H₁₅N₃O₂S₂

(5,6-diphenyl-6H-[1,3,4]thiadiazin-2-yl)-dimethyl-amine

Refernces

• 1、 Kang, Iou-Jiun,Wang, Li-Wen,Hsu, Tsu-An,Yueh, Andrew,Lee, Chung-Chi,Lee, Yen-Chun,Lee, Ching-Yin,Chao, Yu-Sheng,Shih, Shin-Ru,Chern, Jyh-Haur. "Isatin-β-thiosemicarbazones as potent herpes simplex virus inhibitors". scheme or table. p. 1948 - 1952. Retrieved 2011/05/04.
• 2、 Mylonas, Stavros,Mamalis, Athanasios. "Synthesis and antitumor activity of new thiosemicarbazones of 2-acetylimidazo[4,5-b]pyridine". . p. 1273 - 1281. Retrieved 2007/10/03.