| SpectraBase Spectrum ID |
BLjKUZn9mIG |
| Name |
3-(3-methylphenyl)-2-sulfanylidene-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/c1-9-4-2-5-10(8-9)13-11(14)6-3-7-16-12(13)15/h2,4-5,8H,3,6-7H2,1H3 |
| InChIKey |
LLRKFTWMBLVRMM-UHFFFAOYSA-N |
| Molecular Weight |
251.362 g/mol |
| SMILES |
C1(N(C(CCCS1)=O)c1cc(C)ccc1)=S |
| SPLASH |
splash10-0002-0920000000-adfe94dc102fa1a7ddc5 |
| Source of Spectrum |
Y-36-1171-6 |
| Synonyms |
3-(m-tolyl)-2-thioxo-1,3-thiazepan-4-one |
| Wiley ID |
762450 |
