3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" Conformation?
We report a study of 3,3-dimethyl substituted acylthioureas. X ray data and quantum mechanical calculations demonstrated that the "S" conformation is the most stable both for the acylthioureas and the corresponding anions. The high regioselectivity towards S-alkylation is explained on the...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2000-03-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | http://www.mdpi.com/1420-3049/5/3/445/ |
| _version_ | 1818873369165037568 |
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| author | M. Piris M. Sosa G. Burton |
| author_facet | M. Piris M. Sosa G. Burton |
| author_sort | M. Piris |
| collection | DOAJ |
| description | We report a study of 3,3-dimethyl substituted acylthioureas. X ray data and quantum mechanical calculations demonstrated that the "S" conformation is the most stable both for the acylthioureas and the corresponding anions. The high regioselectivity towards S-alkylation is explained on the basis of the localization of the HOMO mainly over the sulfur atom. |
| first_indexed | 2024-12-19T12:53:36Z |
| format | Article |
| id | doaj.art-1d1f65405fc7483e9e03d4b4c997a95a |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-12-19T12:53:36Z |
| publishDate | 2000-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-1d1f65405fc7483e9e03d4b4c997a95a2022-12-21T20:20:27ZengMDPI AGMolecules1420-30492000-03-015344544610.3390/503004453,3-Dimethylacylthioureas: "S", "-S", "U" or "W" Conformation?M. PirisM. SosaG. BurtonWe report a study of 3,3-dimethyl substituted acylthioureas. X ray data and quantum mechanical calculations demonstrated that the "S" conformation is the most stable both for the acylthioureas and the corresponding anions. The high regioselectivity towards S-alkylation is explained on the basis of the localization of the HOMO mainly over the sulfur atom.http://www.mdpi.com/1420-3049/5/3/445/n/a |
| spellingShingle | M. Piris M. Sosa G. Burton 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" Conformation? Molecules n/a |
| title | 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" Conformation? |
| title_full | 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" Conformation? |
| title_fullStr | 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" Conformation? |
| title_full_unstemmed | 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" Conformation? |
| title_short | 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" Conformation? |
| title_sort | 3 3 dimethylacylthioureas s s u or w conformation |
| topic | n/a |
| url | http://www.mdpi.com/1420-3049/5/3/445/ |
| work_keys_str_mv | AT mpiris 33dimethylacylthioureasssuorwconformation AT msosa 33dimethylacylthioureasssuorwconformation AT gburton 33dimethylacylthioureasssuorwconformation |