Basic information
- CAS
691394-02-2- Standard SMILES
COC(=O)c1sc(-c2ccc(OC)cc2)c(C)c1N- InChIKey
IWKBTNQOAUFXQW-UHFFFAOYSA-N- Molecular formula
- C14H15NO3S
- Average molar mass
- 277.34 g/mol
- Monoisotopic mass
- 277.07726451
Names & identifiers
- Preferred name
- Methyl 3-amino-4-methyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
- IUPAC
- methyl 3-amino-5-(4-methoxyphenyl)-4-methylthiophene-2-carboxylate
- English name
- 3-AMINO-5-(4-METHOXYPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
- Molecular formula
- C14H15NO3S
- Molecular weight
- 277.34
Names & synonyms
3-Amino-5-(4-methoxyphenyl)-4-methylthiophene-2-carboxylic acid methyl ester691394-02-2METHYL 3-AMINO-4-METHYL-5-(4-METHOXYPHENYL)THIOPHENE-2-CARBOXYLATEAKOS0105660712-Thiophenecarboxylic acid, 3-amino-5-(4-methoxyphenyl)-4-methyl-, methyl ester
Database identifiers
- CAS
691394-02-2- PubChem CID
- 2756468
- Nikkaji
- J2.880.226I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Boiling point
- 461.066 · 461.066±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.676 · 1.676±0.10(predicted)
Chemistry & industry
Suppliers2 total
Fluorochem Ltd[email protected]
FLRO-SR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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