Basic information
- Standard SMILES
CCOC(=O)c1sc(NC(C)=O)c(C(=O)OCC)c1C- InChIKey
DSAAXKNXXOMQNQ-UHFFFAOYSA-N- Molecular formula
- C13H17NO5S
- Average molar mass
- 299.34 g/mol
- Monoisotopic mass
- 299.08274364
Names & identifiers
- Preferred name
- Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
- IUPAC
- diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
- English name
- 2-Acetylamino-4-methyl-3,5-thiophenedicarboxylic acid diethyl ester
- Molecular formula
- C13H17NO5S
- Molecular weight
- 299.34
Names & synonyms
diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate4815-41-2DTXSID40303209RefChem:337925DTXCID80254342DSAAXKNXXOMQNQ-UHFFFAOYSA-NNSC1573502,4-diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylateOprea1_559776Oprea1_847011MLS000098980CHEMBL452894
Show more names
DIETHYL 2-ACETAMIDO-4-METHYL-3,5-THIOPHENEDICARBOXYLATE2-Acetylamino-4-methyl-3,5-thiophenedicarboxylic acid diethyl ester5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester2,4-Thiophenedicarboxylic acid, 5-(acetylamino)-3-methyl-, 2,4-diethyl ester
SCHEMBL11344627HMS2333G17CCG-15617AKOS000676077NSC-157350SMR000059906ST095473CS-0367199
Database identifiers
- CAS
4815-41-2- PubChem CID
- 291812
- DTXSID
DTXSID40303209- ChEMBL
CHEMBL452894- Nikkaji
- J308.115J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 132 °C · 132 °C
- Boiling point
- 456.5 · 456.5±45.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- 13.78 · 13.78±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
PRINCETON[email protected]
SIGMAALDRICH—
Related reactions
5 records
Linked notes
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