| SpectraBase Spectrum ID |
K1BA30mYCnX |
| Name |
4-(4-Chlorophenyl)-1,2,3,4-tetrahydro-(5H)-[1]benzothiopyrano[4,3-D]pyrimidine-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.020868475 u |
| Formula |
C17H13ClN2S2 |
| InChI |
InChI=1S/C17H13ClN2S2/c18-11-7-5-10(6-8-11)15-13-9-22-14-4-2-1-3-12(14)16(13)20-17(21)19-15/h1-8,15H,9H2,(H2,19,20,21) |
| InChIKey |
MBEUFYLFXBTMKT-UHFFFAOYSA-N |
| Molecular Weight |
344.878 g/mol |
| SMILES |
C12=C(NC(NC2C=2C=CC(=CC2)Cl)=S)C2=CC=CC=C2SC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817604 |
![4-(4-Chlorophenyl)-1,2,3,4-tetrahydro-(5H)-[1]benzothiopyrano[4,3-d]pyrimidine-2-thione](/api/spectrum/K1BA30mYCnX/structure.png?h=300&w=458 "4-(4-Chlorophenyl)-1,2,3,4-tetrahydro-(5H)-[1]benzothiopyrano[4,3-d]pyrimidine-2-thione")
