2-((2,5-Dimethylbenzyl)sulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one
Basic information
- CAS
477328-99-7- Standard SMILES
COc1ccc(-n2c(SCc3cc(C)ccc3C)nc3sc4c(c3c2=O)CCCC4)cc1- InChIKey
DEYYDANAQBCDLV-UHFFFAOYSA-N- Molecular formula
- C26H26N2O2S2
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.14357042
Names & identifiers
- Preferred name
- 2-((2,5-Dimethylbenzyl)sulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one
- IUPAC
- 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- SALOR-INT L242411-1EA
- Molecular formula
- C26H26N2O2S2
- Molecular weight
- 462.63
Names & synonyms
477328-99-72-[(2,5-dimethylbenzyl)sulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one2-((2,5-Dimethylbenzyl)sulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-oneRefChem:447548647-175-52-((2,5-Dimethylbenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-oneZINC1821837MFCD03473831STK722925ZINC01821837AKOS002174118ZINC000001821837
Show more names
SALOR-INT L242411-1EA[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[[(2,5-dimethylphenyl)methyl]thio]-5,6,7,8-tetrahydro-3-(4-methoxyphenyl)-
ST50060311CC1=CC(=C(C=C1)C)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC2((25dimethylbenzyl)sulfanyl)3(4methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one2((25dimethylbenzyl)thio)3(4methoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one2((25dimethylphenyl)methylsulfanyl)3(4methoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one2-[(2,5-dimethylphenyl)methylthio]-3-(4-methoxyphenyl)-3,5,6,7,8-pentahydroben zo[b]thiopheno[2,3-d]pyrimidin-4-one
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 708
Physicochemical properties
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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