methyl 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}acetate
Basic information
- CAS
105219-75-8- Standard SMILES
COC(=O)Cc1nc2sc(C)c(C)c2c(=O)[nH]1- InChIKey
HAHGFZCGLMLOCV-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3S
- Average molar mass
- 252.29 g/mol
- Monoisotopic mass
- 252.05686342
Names & identifiers
- Preferred name
- methyl 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}acetate
- IUPAC
- methyl 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
- English name
- (5,6-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-yl)-acetic acid methyl ester
- Molecular formula
- C11H12N2O3S
- Molecular weight
- 252.29
Names & synonyms
methyl 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}acetatemethyl 2-(5,6-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidin-2-yl)acetateRefChem:813538998-030-0105219-75-8Methyl 2-(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)acetate(5,6-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-yl)-acetic acid methyl estermethyl 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetatemethyl 2-{5,6-dimethyl-4-oxo-1H,4H-thieno[2,3-d]pyrimidin-2-yl}acetateDTXSID90368464MFCD04621565SBB078074
Show more names
Reaxys ID: 5575309Methyl 1,4-dihydro-5,6-dimethyl-4-oxothieno2,3-dpyrimidin-2-acetateMethyl 1,4-dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-acetate1,4-Dihydro-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-acetic acid methyl esterThieno[2,3-d]pyriMidine-2-aceticacid, 1,4-dihydro-5,6-diMethyl-4-oxo-, Methyl ester
AKOS005136922SY138231CS-0220301EN300-06294G33218F643051Z55995620Methyl (5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)acetate
Database identifiers
- CAS
105219-75-8- PubChem CID
- 2393687
- DTXSID
DTXSID90368464- EC Number
- 998-030-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 10.83 · 10.83±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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