Lot numbers can be found on the outside label of a product:
1,1-Dimethylthiourea
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CAS No. 6972-05-0
- Cat. No. CS-0231074
- Purity≥98%
- MDL No.MFCD00060474
*For research and further manufacturing use only, not for direct human use.
Structure of 6972-05-0
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General Information
- CAS No. 6972-05-0
- Cat. No. CS-0231074
- Purity ≥98%
- MDL No. MFCD00060474
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₃H₈N₂S
- Molecular Weight 104.17
- Synonym(s) Urea, 1,1-dimethyl-2-thio-
- SMILES CN(C(N)=S)C
Description
1,1-Dimethylthiourea features a sterically hindered thiourea core with two methyl groups flanking the nitrogen atoms, enhancing stability and reducing nucleophilicity. This bench-stable compound serves as a selective radical scavenger in synthetic transformations, particularly effective in suppressing unwanted side reactions during photochemical or redox processes.
Application
1,1-Dimethylthiourea serves as a stable, bench-ready sulfur-containing reagent that functions as a nucleophilic catalyst and radical scavenger in synthetic transformations. It enables efficient thiocarbonyl transfer reactions and stabilizes reactive intermediates in heterocycle synthesis. Its high solubility and ease of handling make it well-suited for use in medicinal chemistry campaigns and scale-up processes where functional group tolerance and reproducibility are critical.
Synthesis
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Route1
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88681-68-9 -
124-40-3
- ~50%
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In-stock
6972-05-0
References
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Medivir AB Patent: US2009/23758 A1, 2009 ; Location in patent: Page/Page column 59 ;
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Route2
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21578-37-0
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124-40-3
- ~53%
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In-stock
6972-05-0
References
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Simmen, Kenneth Alan; De Kock, Herman Augustinus; Raboisson, Pierre Jean-Marie Bernard; Hu, Lili; Lindquist, Karin Charlotta; Lindstrom, Mats Stefan; Belfrage, Anna Karin Gertrud Linnea; Wahling, Horst Jurgen; Nilsson, Karl Magnus; Samuelsson, Bengt Bertil; Rosenquist, Asa Annica Kristina; Sahlberg, Sven Crister; Wallberg, Hans Kristian; Kahnberg, Pia Cecilia; Classon, Bjorn Olof Patent: US2009/118312 A1, 2009 ; Location in patent: Page/Page column 51 ;
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Route3
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1467-79-4 - ~%
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In-stock
6972-05-0
References
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Chemische Berichte, , vol. 32, p. 1873
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS06
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Signal Word : Danger
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UN#: 2811
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Class : 6.1
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Packing Group : Ⅲ
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Hazard Statements : H301
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Precautionary Statements : P264-P270-P330-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 29.26
- LogP -0.2084
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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