Basic information
- CAS
618427-78-4- Standard SMILES
CCn1c(SCc2cccc(C(F)(F)F)c2)nc2sc(C)c(C)c2c1=O- InChIKey
SEFWHPOAQMVLPT-UHFFFAOYSA-N- Molecular formula
- C18H17F3N2OS2
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.07344
Names & identifiers
- Preferred name
- 3-Ethyl-5,6-dimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-D]pyrimidin-4(3H)-one
- IUPAC
- 3-ethyl-5,6-dimethyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
- English name
- SALOR-INT L412791-1EA
- Molecular formula
- C18H17F3N2OS2
- Molecular weight
- 398.47
Names & synonyms
618427-78-43-ethyl-5,6-dimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one3-ETHYL-5,6-DIMETHYL-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFANYL)THIENO(2,3-D)PYRIMIDIN-4(3H)-ONERefChem:501403638-074-73-Ethyl-5,6-dimethyl-2-((3-(trifluoromethyl)benzyl)thio)thieno[2,3-d]pyrimidin-4(3H)-oneSTL339096AKOS002188249ST500813193-ethyl-5,6-dimethyl-2-{[3-(trifluoromethyl)phenyl]methylthio}-3-hydrothiophen o[2,3-d]pyrimidin-4-oneSALOR-INT L412791-1EA3-ETHYL-5,6-DIMETHYL-2-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Show more names
Thieno[2,3-d]pyrimidin-4(3H)-one, 3-ethyl-5,6-dimethyl-2-[[[3-(trifluoromethyl)phenyl]methyl]thio]-
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 569
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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