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Basic information
- CAS
23903-49-3- Standard SMILES
CCOC(=O)c1sc(NC(C)=O)c(C#N)c1C- InChIKey
HOXMUFDZGGNNEA-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3S
- Average molar mass
- 252.29 g/mol
- Monoisotopic mass
- 252.05686342
Names & identifiers
- Preferred name
- Ethyl 5-acetamido-4-cyano-3-methylthenoate
- IUPAC
- ethyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate
- English name
- ethyl 5-acetamido-4-cyano-3-methylthenoate
- Molecular formula
- C11H12N2O3S
- Molecular weight
- 252.29
Names & synonyms
23903-49-3Ethyl 5-acetamido-4-cyano-3-methylthenoateethyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylateEthyl 5-(acetylamino)-4-cyano-3-methyl-2-thiophenecarboxylateethyl 5-(acetylamino)-4-cyano-3-methylthiophene-2-carboxylate2-Thiophenecarboxylic acid, 5-(acetylamino)-4-cyano-3-methyl-, ethyl esterSR-01000480682EINECS 245-934-1TimTec1_001670R8LEL63KU6SCHEMBL10826365DTXSID80178610
Show more names
ethyl 5-acetamido-4-cyano-3-methyl-thiophene-2-carboxylate5-acetamido-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester5-acetamido-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester5-Acetylamino-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester5-(Acetylamino)-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester
HMS1538L20HMS5088F01ALBB-019986ETHYL 4-CYANO-5-ACETAMIDO-3-METHYLTHIOPHENE-2-CARBOXYLATESTK3622922-Thiophenecarboxylicacid, 5-(acetylamino)-4-cyano-3-methyl-, ethyl esterAKOS000265608CCG-110614
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 236 °C · 236 °C(Solv: ethanol (64-17-5))
- Boiling point
- 458.9 · 458.9±45.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 13.26 · 13.26±0.70(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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