2-{[Bis(propan-2-yl)carbamothioyl]sulfanyl}acetic acid
The title compound, (iPr)2NC(=S)SCH2C(=O)OH (1), was synthesized by conventional methods and its X-ray crystal structure was determined by X-ray crystallography. The compound was further characterized by analytical, IR, UV, 1D NMR (1H and 13C{1H}), and 2D NMR (DEPT135) spectroscopy, and density func...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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MDPI
2019
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| Online Access: | http://eprints.sunway.edu.my/1127/ http://eprints.sunway.edu.my/1127/1/Tiekink%20molbank-2019-M1082%20%28002%29.pdf |
| _version_ | 1848801981582278656 |
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| author | Lee, See Mun * Ainnul H. S. Azizan, * Lo, Kong Mun * Tan, Sang Loon * Tiekink, Edward R. T. * |
| author_facet | Lee, See Mun * Ainnul H. S. Azizan, * Lo, Kong Mun * Tan, Sang Loon * Tiekink, Edward R. T. * |
| author_sort | Lee, See Mun * |
| building | SU Institutional Repository |
| collection | Online Access |
| description | The title compound, (iPr)2NC(=S)SCH2C(=O)OH (1), was synthesized by conventional methods and its X-ray crystal structure was determined by X-ray crystallography. The compound was further characterized by analytical, IR, UV, 1D NMR (1H and 13C{1H}), and 2D NMR (DEPT135) spectroscopy, and density functional theory (DFT) methods. X-ray crystallography on 1 confirms the formulation and reveals a nearly orthogonal relationship between the planar NCS2 and
C2O2 residues. In the crystal, hydroxyl-O–H⋯O(carbonyl) hydrogen bonds lead dimers via an eightmembered {⋯OCOH}2 ring. |
| first_indexed | 2025-11-14T21:16:05Z |
| format | Article |
| id | sunway-1127 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:16:05Z |
| publishDate | 2019 |
| publisher | MDPI |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-11272020-10-12T07:22:41Z http://eprints.sunway.edu.my/1127/ 2-{[Bis(propan-2-yl)carbamothioyl]sulfanyl}acetic acid Lee, See Mun * Ainnul H. S. Azizan, * Lo, Kong Mun * Tan, Sang Loon * Tiekink, Edward R. T. * QD Chemistry The title compound, (iPr)2NC(=S)SCH2C(=O)OH (1), was synthesized by conventional methods and its X-ray crystal structure was determined by X-ray crystallography. The compound was further characterized by analytical, IR, UV, 1D NMR (1H and 13C{1H}), and 2D NMR (DEPT135) spectroscopy, and density functional theory (DFT) methods. X-ray crystallography on 1 confirms the formulation and reveals a nearly orthogonal relationship between the planar NCS2 and C2O2 residues. In the crystal, hydroxyl-O–H⋯O(carbonyl) hydrogen bonds lead dimers via an eightmembered {⋯OCOH}2 ring. MDPI 2019-09-20 Article PeerReviewed text en cc_by_nc_4 http://eprints.sunway.edu.my/1127/1/Tiekink%20molbank-2019-M1082%20%28002%29.pdf Lee, See Mun * and Ainnul H. S. Azizan, * and Lo, Kong Mun * and Tan, Sang Loon * and Tiekink, Edward R. T. * (2019) 2-{[Bis(propan-2-yl)carbamothioyl]sulfanyl}acetic acid. Molbank, 2019 (4). M1082. ISSN 1422-8599 http://doi.org/10.3390/M1082 doi:10.3390/M1082 |
| spellingShingle | QD Chemistry Lee, See Mun * Ainnul H. S. Azizan, * Lo, Kong Mun * Tan, Sang Loon * Tiekink, Edward R. T. * 2-{[Bis(propan-2-yl)carbamothioyl]sulfanyl}acetic acid |
| title | 2-{[Bis(propan-2-yl)carbamothioyl]sulfanyl}acetic acid |
| title_full | 2-{[Bis(propan-2-yl)carbamothioyl]sulfanyl}acetic acid |
| title_fullStr | 2-{[Bis(propan-2-yl)carbamothioyl]sulfanyl}acetic acid |
| title_full_unstemmed | 2-{[Bis(propan-2-yl)carbamothioyl]sulfanyl}acetic acid |
| title_short | 2-{[Bis(propan-2-yl)carbamothioyl]sulfanyl}acetic acid |
| title_sort | 2-{[bis(propan-2-yl)carbamothioyl]sulfanyl}acetic acid |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/1127/ http://eprints.sunway.edu.my/1127/ http://eprints.sunway.edu.my/1127/ http://eprints.sunway.edu.my/1127/1/Tiekink%20molbank-2019-M1082%20%28002%29.pdf |