Basic information
- CAS
23903-53-9- Standard SMILES
CCOC(=O)c1sc2nc(C)[nH]c(=O)c2c1C- InChIKey
USANWBIBDSRZOM-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3S
- Average molar mass
- 252.29 g/mol
- Monoisotopic mass
- 252.05686342
Names & identifiers
- Preferred name
- Ethyl 1,4-dihydro-2,5-dimethyl-4-oxothieno(2,3-d)pyrimidine-6-carboxylate
- IUPAC
- ethyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
- English name
- 2,5-DIMETHYL-4-OXO-3,4-DIHYDRO-THIENO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C11H12N2O3S
- Molecular weight
- 252.29
Names & synonyms
23903-53-9Ethyl 1,4-dihydro-2,5-dimethyl-4-oxothieno(2,3-d)pyrimidine-6-carboxylateEthyl 1,4-dihydro-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylateRefChem:341918ethyl 2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylateethyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylateEthyl 2,5-dimethyl-4-oxo-3,4-dihydrothieno-[2,3-d]pyrimidine-6-carboxylate2,5-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl esterUSANWBIBDSRZOM-UHFFFAOYSA-NMFCD00436801NSC349832MLS000759844
Show more names
ethyl 2,5-dimethyl-4-oxo-3H-thieno[5,4-d]pyrimidine-6-carboxylateethyl 2,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate2,5-dimethyl-4-oxo-3H-thieno[5,4-d]pyrimidine-6-carboxylic acid ethyl ester4-keto-2,5-dimethyl-3H-thieno[5,4-d]pyrimidine-6-carboxylic acid ethyl esterThieno[2,3-d]pyrimidine-6-carboxylic acid, 1,4-dihydro-2,5-dimethyl-4-oxo-, ethyl ester
Properties
Computed structural properties
- XLogP
- 1.6
- 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
Experimental & physicochemical properties
Solubility2.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
3 records
Compound notes
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