3-Ethyl-5,6-dimethyl-2-((4-methylbenzyl)thio)thieno(2,3-D)pyrimidin-4(3H)-one
Basic information
- CAS
573670-03-8- Standard SMILES
CCn1c(SCc2ccc(C)cc2)nc2sc(C)c(C)c2c1=O- InChIKey
PHWSEIMAYZGTML-UHFFFAOYSA-N- Molecular formula
- C18H20N2OS2
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.10170561
Names & identifiers
- Preferred name
- 3-Ethyl-5,6-dimethyl-2-((4-methylbenzyl)thio)thieno(2,3-D)pyrimidin-4(3H)-one
- IUPAC
- 3-ethyl-5,6-dimethyl-2-[(4-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
- English name
- SALOR-INT L412430-1EA
- Molecular formula
- C18H20N2OS2
- Molecular weight
- 344.49
Names & synonyms
573670-03-83-Ethyl-5,6-dimethyl-2-((4-methylbenzyl)thio)thieno[2,3-d]pyrimidin-4(3H)-one3-Ethyl-5,6-dimethyl-2-((4-methylbenzyl)thio)thieno(2,3-D)pyrimidin-4(3H)-oneRefChem:501404638-130-03-ethyl-5,6-dimethyl-2-[(4-methylbenzyl)sulfanyl]thieno[2,3-d]pyrimidin-4(3H)-oneSTL340179AKOS002188198ST500812823-ethyl-5,6-dimethyl-2-[(4-methylphenyl)methylthio]-3-hydrothiopheno[2,3-d]pyr imidin-4-oneSALOR-INT L412430-1EAThieno[2,3-d]pyrimidin-4(3H)-one, 3-ethyl-5,6-dimethyl-2-[[(4-methylphenyl)methyl]thio]-
Database identifiers
- CAS
573670-03-8- PubChem CID
- 934818
- EC Number
- 638-130-0
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 474
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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…