Ethyl 2-amino-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate
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Basic information
- CAS
6131-55-1- Standard SMILES
CCOC(=O)c1c(N)sc(C)c1-c1ccc(OCC)cc1- InChIKey
OEHRJEXNVGPCAM-UHFFFAOYSA-N- Molecular formula
- C16H19NO3S
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.10856464
Names & identifiers
- Preferred name
- Ethyl 2-amino-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate
- IUPAC
- ethyl 2-amino-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate
- English name
- ART-CHEM-BB B014653
- Molecular formula
- C16H19NO3S
- Molecular weight
- 305.39
Names & synonyms
ethyl 2-amino-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate351158-30-0MFCD019241716131-55-1CBMicro_030584Oprea1_003516DTXSID60976797ALBB-001986BBL013636SBB015942STK298783AKOS000273444
Show more names
AURORA 21451ZINC00148896ART-CHEM-BB B014653OTAVA-BB BB7014751212
VS-03899BIM-0030695.P001CS-0313559H21868AK-968/15360309ethyl 2-amino-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylateethyl 2-amino-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylateethyl2-amino-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate
Database identifiers
- CAS
6131-55-1- PubChem CID
- 733743
- DTXSID
DTXSID60976797
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 432.2 · 432.2±45.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- 0.31 · 0.31±0.14(Predicted)
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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