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| IUPAC Name: | 2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanethiol |
| Description: | 1,4,8,11-Tetraazacyclotetradecane-1-ethanethiol is an intermediate in the synthesis of TETAC (P991915), a cyclen based compound used in paramagnetic NMR studies. |
| Molecular Weight: | 232.39 |
| Molecular Formula: | C10H24N4S |
| Canonical SMILES: | C1CNCCNCCCN(CCNC1)CCS |
| InChI: | InChI=1S/C12H28N4S/c17-12-11-16-9-2-5-14-7-6-13-3-1-4-15-8-10-16/h13-15,17H,1-12H2 |
| InChI Key: | FLAGCOONKZWXIZ-UHFFFAOYSA-N |
| Solubility: | Water |
| Appearance: | White Solid |
| References: | Sengupta, I. et al. J. Biomol. NMR. et al. 61, 1 (2015). |
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