| SpectraBase Spectrum ID |
71A9g9cFvRb |
| Name |
3-(4-isothiocyanatophenyl)-2-sulfanylidene-1,3-thiazepan-4-one |
| Alternate Name(s) |
3-(4-isothiocyanatophenyl)-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 |
C12H10N2OS3 |
| InChI |
InChI=1S/C12H10N2OS3/c15-11-2-1-7-18-12(17)14(11)10-5-3-9(4-6-10)13-8-16/h3-6H,1-2,7H2 |
| InChIKey |
HHPOETCOBTYKON-UHFFFAOYSA-N |
| Molecular Weight |
294.405 g/mol |
| SMILES |
C1(N(C(CCCS1)=O)c1ccc(N=C=S)cc1)=S |
| SPLASH |
splash10-0006-0910000000-1f5c81ed2f8582e91874 |
| Source of Spectrum |
Y-36-1172-6 |
| Wiley ID |
762440 |
