Ethyl 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxylate
Basic information
- CAS
350989-83-2- Standard SMILES
CCOC(=O)c1c(N)sc(C)c1-c1ccc(Cl)cc1Cl- InChIKey
NPZCPQRLAGXFLH-UHFFFAOYSA-N- Molecular formula
- C14H13Cl2NO2S
- Average molar mass
- 330.2 g/mol
- Monoisotopic mass
- 329.0044052
Names & identifiers
- Preferred name
- Ethyl 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxylate
- IUPAC
- ethyl 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxylate
- English name
- BUTTPARK 154\18-69
- Molecular formula
- C14H13Cl2NO2S
- Molecular weight
- 330.23
Names & synonyms
ethyl 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxylate350989-83-2MFCD01922072ALBB-001779BBL037575STK502449AKOS003885257Ethyl 2-amino-4-(2,4-dichlorophenyl)-5-methyl-thiophene-3-carboxylateVS-14277H21693EN300-6498220F364988
Show more names
BUTTPARK 154\18-692-amino-4-(2,4-dichlorophenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester2-amino-4-(2,4-dichlorophenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester3-Thiophenecarboxylic acid, 2-amino-4-(2,4-dichlorophenyl)-5-methyl-, ethyl ester
ethyl2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxylate
Database identifiers
- CAS
350989-83-2- PubChem CID
- 4433557
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Boiling point
- 421.7 · 421.7±45.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- pka
- -0.24 · -0.24±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
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Compound notes
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