2-((2-(3,4-Dihydroxyphenyl)-2-oxoethyl)sulfanyl)-3-ethyl-5,6,7,8-tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one
Basic information
- CAS
573694-85-6- Standard SMILES
CCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2sc3c(c2c1=O)CCCC3- InChIKey
ARYVDNDRBGAITD-UHFFFAOYSA-N- Molecular formula
- C20H20N2O4S2
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.08644947
Names & identifiers
- Preferred name
- 2-((2-(3,4-Dihydroxyphenyl)-2-oxoethyl)sulfanyl)-3-ethyl-5,6,7,8-tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one
- IUPAC
- 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- SALOR-INT L413003-1EA
- Molecular formula
- C20H20N2O4S2
- Molecular weight
- 416.51
Names & synonyms
573694-85-62-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one2-((2-(3,4-Dihydroxyphenyl)-2-oxoethyl)sulfanyl)-3-ethyl-5,6,7,8-tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-oneRefChem:447612638-237-22-((2-(3,4-Dihydroxyphenyl)-2-oxoethyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-oneSTL340198AKOS000900117SALOR-INT L413003-1EA[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-3-ethyl-5,6,7,8-tetrahydro-2-([2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL]SULFANYL)-3-ETHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Database identifiers
- CAS
573694-85-6- PubChem CID
- 1978164
- EC Number
- 638-237-2
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 658
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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