1,3-Dicyclopropyl-thiourea

Base Information

• Chemical Name: 1,3-Dicyclopropyl-thiourea
• CAS No.: 59814-70-9
• Molecular Formula: C₇H₁₂N₂S
• Molecular Weight: 156.252
• DSSTox Substance ID: DTXSID30590227
• Nikkaji Number: J1.263.968F
• Wikidata: Q82483947
• Mol file: 59814-70-9.mol

Synonyms:1,3-Dicyclopropyl-thiourea;1,3-dicyclopropylthiourea;59814-70-9;N,N'-Dicyclopropylthiourea;SCHEMBL11562573;DTXSID30590227;WAYCPTONHUPFFR-UHFFFAOYSA-N;AKOS003714169;DB-311457;EN300-2907940

Chemical Property of 1,3-Dicyclopropyl-thiourea

Chemical Property:

• PSA: 56.15000
• LogP: 1.55710
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 156.07211956
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

1,3-DICYCLOPROPYL-THIOUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1NC(=S)NC2CC2

Technology Process of 1,3-Dicyclopropyl-thiourea

There total 3 articles about 1,3-Dicyclopropyl-thiourea 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: 96.0%

carbon disulfide (75-15-0,12122-00-8) + Cyclopropylamine (765-30-0) → 1,3-dicyclopropylthiourea (59814-70-9)

Guidance literature:

In water; at 20 ℃; for 0.5h; Green chemistry;

DOI:10.1080/00397911.2014.963876

Reference yield: 91.0%

Cyclopropylamine (765-30-0) + 3-methyl-1-(methyldithiocarbonyl)imidazolium iodide → 1,3-dicyclopropylthiourea (59814-70-9)

Guidance literature:

In ethanol; for 4h; Heating;

DOI:10.1016/S0040-4020(99)01026-1

Reference yield: 79.0%

1H-imidazole-1-carbodithioic acid methyl ester (74734-11-5) + Cyclopropylamine (765-30-0) → 1,3-dicyclopropylthiourea (59814-70-9)

Guidance literature:

In ethanol; for 5h; Heating;

DOI:10.1016/S0040-4020(99)01026-1

upstream raw materials:

1H-imidazole-1-carbodithioic acid methyl ester

Cyclopropylamine

carbon disulfide

Downstream raw materials:

4-(2,4-Dichloro-5-sulfamoylphenyl)-3-cyclopropyl-2-cyclopropylimino-1,3-thiazolidine-4-ol-hydrobromide

4-(4-Chloro-3-sulfamoylphenyl)-3-cyclopropyl-2-cyclopropylimino-1,3-thiazolidine-4-ol-hydrochloride

Refernces

• 1、 Jangale, Asha D.,Kumavat, Priyanka P.,Wagh, Yogesh B.,Tayade, Yogesh A.,Mahulikar, Pramod P.,Dalal, Dipak S.. "Green Process Development for the Synthesis of Aliphatic Symmetrical N,N ′-Disubstituted Thiourea Derivatives in Aqueous Medium". supporting information. p. 376 - 385. Retrieved 2015/10/29.
• 2、 Mohanta, Pramod K.,Dhar, Sanchita,Samal,Ila,Junjappa. "1-(Methyldithiocarbonyl)imidazole: A useful thiocarbonyl transfer reagent for synthesis of substituted thioureas". . p. 629 - 637. Retrieved 2007/10/03.