N,N-Diethylhydrazinecarbothioamide

Base Information

• Chemical Name: N,N-Diethylhydrazinecarbothioamide
• CAS No.: 21198-48-1
• Molecular Formula: C5H13 N3 S
• Molecular Weight: 147.244
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID00418707
• Nikkaji Number: J1.824.212E
• Mol file: 21198-48-1.mol

Synonyms:N,N-Diethylhydrazinecarbothioamide;21198-48-1;3-amino-1,1-diethylthiourea;4,4-diethyl-3-thiosemicarbazide;N,N-Diethylsemithiocarbazide;4,4-Diethylthiosemicarbazide;SCHEMBL4949912;DTXSID00418707;VHVCXPOTKXZFCZ-UHFFFAOYSA-N;N,N-Diethylhydrazinecarbothioamide #;AC5540;MFCD03453173;AKOS006280048;N,N-DIETHYLHYDRAZINE CARBOTHIOAMIDE;SY129118;FT-0629476

Chemical Property of N,N-Diethylhydrazinecarbothioamide

Chemical Property:

• PSA: 80.42000
• LogP: 1.18800
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 147.08301860
• Heavy Atom Count: 9
• Complexity: 90.2

Purity/Quality:

98%Min ^*data from raw suppliers

N,N-DIETHYLHYDRAZINECARBOTHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=S)NN

Technology Process of N,N-Diethylhydrazinecarbothioamide

There total 8 articles about N,N-Diethylhydrazinecarbothioamide 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: 28.0%

carbon disulfide (75-15-0,12122-00-8) + diethylamine (109-89-7) → 4,4-diethyl-thiosemicarbazide (21198-48-1)

Guidance literature:

carbon disulfide; diethylamine; With sodium hydroxide; In water; at 4 ℃; for 4h; Reflux;

With sodium monochloroacetic acid; In water; for 2h; Reflux;

With hydrazine hydrate; In water; for 2h; Reflux;

DOI:10.1021/acs.jmedchem.7b01158

Reference yield:

sodium (diethyldithiocarbamato)acetate (68797-51-3) → 4,4-diethyl-thiosemicarbazide (21198-48-1)

Guidance literature:

With hydrazine hydrate; In water; at 120 ℃; for 0.5h;

Reference yield:

N,N-diethylthiocarbamoyl chloride (88-11-9) → 4,4-diethyl-thiosemicarbazide (21198-48-1)

Guidance literature:

With ethanol; hydrazine hydrate;

upstream raw materials:

(N,N-diethylthiocarbamoylthio)acetic acid

N,N-diethylthiocarbamoyl chloride

tetraethylthiuram monosulfide

tetrachloromethane

Downstream raw materials:

N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine

2-benzoylpyridine 4,4-diethyl-3-thiosemicarbazone

C₁₃H₂₀N₄OS

benzenecarbothioamide

Refernces

• 1、 Bal, Tanushree Ratan,Anand, Balasubramani,Yogeeswari, Perumal,Sriram, Dharmarajan. "Synthesis and evaluation of anti-HIV activity of isatin β-thiosemicarbazone derivatives". . p. 4451 - 4455. Retrieved 2005.
• 2、 Chen, Qiu,Fan, Weiwei,Gao, Huashan,Qi, Jinxu,Wang, Fu-An,Wang, Ruiya,Xia, Xichao,Zhao, Wei,Zheng, Yunyun. "Single-crystal structure and intracellular localization of Zn(II)-thiosemicarbazone complex targeting mitochondrial apoptosis pathways". supporting information. . Retrieved 2020/06/22.