Account 5-Sulfanyl-4-[2-(trifluoromethyl)phenyl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one
- Catalog No. :
- ACQJTL816
- CAS No. :
- 565195-77-9
- Molecular Formula :
- C18H15F3N2OS2
- Molecular Weight :
- 396.46
IUPAC Name:2-mercapto-3-(2-(trifluoromethyl)phenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
![5-Sulfanyl-4-[2-(trifluoromethyl)phenyl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 5-Sulfanyl-4-[2-(trifluoromethyl)phenyl]-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one |
|---|---|
| IUPAC Name | 2-mercapto-3-(2-(trifluoromethyl)phenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| MDL No. | MFCD03973222 |
| Molecular Formula | C18H15F3N2OS2 |
| Molecular Weight | 396.46 |
| SMILES | O=C1C(C2=C(CCCCC2)S3)=C3N=C(S)N1C4=CC=CC=C4C(F)(F)F |
| InChI Key | BYPMMZQYPJOKJR-UHFFFAOYSA-N |
| Synonym | 4H-Cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-2-thioxo-3-[2-(trifluoromethyl)phenyl]- |
| CAS No. | 565195-77-9 |
Synthetic Route by SureRoute
2. ACQJTL816 Molecular Building Block Synthetic Route
5-Sulfanyl-4-[2-(trifluoromethyl)phenyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
4-(2-Methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one
3-(2,4-Dimethylphenyl)-2-mercapto-3,5,6,7,8,9-hexahydro-4h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one