| SpectraBase Spectrum ID |
DO8rIcxULYe |
| Name |
3-(2'-Methylphenyl)-2-thioxo-1,3-thiazepan-4-one |
| Alternate Name(s) |
3-(2-methylphenyl)-2-thioxotetrahydro-1,3-thiazepin-4(5H)-one
3-(2-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/c1-9-5-2-3-6-10(9)13-11(14)7-4-8-16-12(13)15/h2-3,5-6H,4,7-8H2,1H3 |
| InChIKey |
BYFZQLCDTATURI-UHFFFAOYSA-N |
| Molecular Weight |
251.362 g/mol |
| SMILES |
C1(N(C(CCCS1)=O)c1c(C)cccc1)=S |
| SPLASH |
splash10-0002-0910000000-89d5b762d839ad901403 |
| Source of Spectrum |
Y-36-1171-6 |
| Wiley ID |
762451 |
