Methyl 2-amino-4-(2,5-dimethylphenyl)thiophene-3-carboxylate
Basic information
- CAS
350990-26-0- Standard SMILES
COC(=O)c1c(-c2cc(C)ccc2C)csc1N- InChIKey
FNJZCTOWRDLENB-UHFFFAOYSA-N- Molecular formula
- C14H15NO2S
- Average molar mass
- 261.34 g/mol
- Monoisotopic mass
- 261.08234989
Names & identifiers
- Preferred name
- Methyl 2-amino-4-(2,5-dimethylphenyl)thiophene-3-carboxylate
- IUPAC
- methyl 2-amino-4-(2,5-dimethylphenyl)thiophene-3-carboxylate
- English name
- 2-Amino-4-(2,5-dimethylphenyl)thiophene-3-carboxylic acid methyl ester
- Molecular formula
- C14H15NO2S
- Molecular weight
- 261.34
Names & synonyms
methyl 2-amino-4-(2,5-dimethylphenyl)thiophene-3-carboxylate350990-26-0DTXSID50352748RefChem:354030DTXCID70303813MFCD019221782-amino-4-(2,5-dimethylphenyl)thiophene-3-carboxylic acid methyl esterCBMicro_046763ALBB-001680BBL013644SBB016228STK346815
Show more names
AKOS B000770AURORA 21787ZINC00151386AK-968/13779365CHEMBRDG-BB 3000770ART-CHEM-BB B000770OTAVA-BB BB7017560928
2-Amino-4-(2,5-dimethyl-phenyl)-thiophene-3-carboxylic acid methyl esterAKOS000220109SY079777VS-03905BIM-0046736.P001DB-028184CS-0280199EN300-227711
Database identifiers
- CAS
350990-26-0- PubChem CID
- 735231
- DTXSID
DTXSID50352748
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Boiling point
- 379.3 · 379.3±42.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- pka
- -0.14 · -0.14±0.10(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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