Account 3-Chloro-5-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
- Catalog No. :
- ACZIXB678
- CAS No. :
- 885460-28-6
- Molecular Formula :
- C18H14ClF3N2S2
- Molecular Weight :
- 414.90
IUPAC Name:4-chloro-2-(((3-(trifluoromethyl)phenyl)thio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
![3-Chloro-5-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-Chloro-5-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene |
|---|---|
| IUPAC Name | 4-chloro-2-(((3-(trifluoromethyl)phenyl)thio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine |
| Molecular Formula | C18H14ClF3N2S2 |
| Molecular Weight | 414.90 |
| SMILES | FC(C1=CC(SCC2=NC(Cl)=C3C4=C(CCCC4)SC3=N2)=CC=C1)(F)F |
| InChI Key | XCDNOLGAYDIRDK-UHFFFAOYSA-N |
| Synonym | [1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-2-[[[3-(trifluoromethyl)phenyl]thio]methyl]-;4-Chloro-2-(((3-(trifluoromethyl)phenyl)thio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine |
| CAS No. | 885460-28-6 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACZIXB678 Molecular Building Block Synthetic Route
4-Chloro-2-((phenylthio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
3-Chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
5-{[(4-bromophenyl)sulfanyl]methyl}-3-chloro-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene