hexahydro-2H-azepine-2-thione
Compound with spectra: 9 NMR, 2 FTIR, 1 Raman, and 4 MS (GC)
| SpectraBase Compound ID | 4lNVDYJJQ8w |
|---|---|
| InChI | InChI=1S/C6H11NS/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) |
| InChIKey | APLHDUWNMGJBFD-UHFFFAOYSA-N |
| Mol Weight | 129.22 g/mol |
| Molecular Formula | C6H11NS |
| Exact Mass | 129.061221 g/mol |
| Copyright | Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Solvent | CDCl3; Reference=TMS; Temperature 297K |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | T28282 |
| Solvent | DMSO-d6 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SD-1981-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AF-53-SM2-43 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | T28282 |
| Solvent | DMSO-d6 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO;C=1.5M |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO;C=1.46M;NAOH=0.024M |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO;C=1.33M;NAOH=0.111M |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Technique | KBr WAFER |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | T28282 |
| Technique | Mull |
- Epsilon-thiocaprolactam
- 1-AZA-2-CYCLOHEPTANETHIONE
- 2H-Azepine-2-thione, hexahydro-
- omega-Thiocaprolactam
- 1,3,4,5,6,7-hexahydro-1-azepine-2-thione
- 2-Thioxohexamethyleneimine
- 2-Azepanethione
- Thiocaprolactam
- 2-Azepinethione, hexahydro-, (Z)-
- .epsilon.-Caprothiolactam
- cis-Hexahydro-2-azepinethione
- azepane-2-thione
- EINECS 230-572-9
- NSC 14023
| Title | Journal or Book | Year |
|---|---|---|
| Carbon-13 N.M.R. Spectra of Some Amides and Lactams and Their Thio and Seleno Analogues | Australian Journal of Chemistry | 1979 |
| 15N nuclear magnetic resonance spectroscopic investigation of differential rates of base-catalyzed N-H proton-exchange reactions of 1-aza-2-cycloheptanone and 1-aza-2-cycloheptanethione | Tetrahedron Letters | 1978 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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KnowItAll IR, Raman, and UV-Vis Spectral Libraries
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KnowItAll Mass Spectral Library
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