Isopropyl 2-amino-4-phenylthiophene-3-carboxylate
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Basic information
- CAS
351157-38-5- Standard SMILES
CC(C)OC(=O)c1c(-c2ccccc2)csc1N- InChIKey
UTTXADKTKIRQHK-UHFFFAOYSA-N- Molecular formula
- C14H15NO2S
- Average molar mass
- 261.34 g/mol
- Monoisotopic mass
- 261.08234989
Names & identifiers
- Preferred name
- Isopropyl 2-amino-4-phenylthiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-amino-4-phenylthiophene-3-carboxylate
- English name
- Isopropyl 2-amino-4-phenylthiophene-3-carboxylate
- Molecular formula
- C14H15NO2S
- Molecular weight
- 261.34
Names & synonyms
isopropyl 2-amino-4-phenylthiophene-3-carboxylate351157-38-5propan-2-yl 2-amino-4-phenylthiophene-3-carboxylateMFCD01923014CBMicro_030464Oprea1_145521ALBB-001738BBL016594STK424694AKOS003271566VS-05394BIM-0030692.P001
Show more names
IVK/9071237ZINC00484465propan-2-yl 2-amino-4-phenyl-thiophene-3-carboxylate2-amino-4-phenyl-3-thiophenecarboxylic acid isopropyl ester
ST50927659H21660isopropyl2-amino-4-phenylthiophene-3-carboxylateAK-968/15359450isopropyl 2-amino-4-phenyl-3-thiophenecarboxylateSR-01000228562isopropyl 2-amino-4-phenyl-thiophene-3-carboxylatemethylethyl 2-amino-4-phenylthiophene-3-carboxylate
Database identifiers
- CAS
351157-38-5- PubChem CID
- 903999
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 396.6 · 396.6±42.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- -0.16 · -0.16±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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