| SpectraBase Spectrum ID |
6mTc0OOOoa4 |
| Name |
3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazepan-4-one |
| Alternate Name(s) |
3-(p-tolyl)-2-thioxo-1,3-thiazepan-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NOS2 |
| InChI |
InChI=1S/C12H13NOS2/c1-9-4-6-10(7-5-9)13-11(14)3-2-8-16-12(13)15/h4-7H,2-3,8H2,1H3 |
| InChIKey |
CCJONVAKRZBVQX-UHFFFAOYSA-N |
| Molecular Weight |
251.362 g/mol |
| SMILES |
C1(SCCCC(N1c1ccc(cc1)C)=O)=S |
| SPLASH |
splash10-0002-0920000000-8f984bdc7f1a5a498992 |
| Source of Spectrum |
Y-36-1171-6 |
| Wiley ID |
762449 |
