Basic information
- Standard SMILES
COC(=O)Cc1ccc(-c2ccccc2N)s1- InChIKey
HPJFLTRLLILVJH-UHFFFAOYSA-N- Molecular formula
- C13H13NO2S
- Average molar mass
- 247.31 g/mol
Names & identifiers
- Preferred name
- [5-(2-Amino-phenyl)-thiophen-2-yl]-acetic acid methyl ester
- IUPAC
- methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate
Names & synonyms
[5-(2-Amino-phenyl)-thiophen-2-yl]-acetic acid methyl ester928846-98-4Methyl 2-(5-(2-aminophenyl)thiophen-2-yl)acetateMETHYL 2-[5-(2-AMINOPHENYL)THIOPHEN-2-YL]ACETATESCHEMBL1598399HPJFLTRLLILVJH-UHFFFAOYSA-NSB39998DB-258464[5-(2-Amino-phenyl)-thiophen-2-yl]acetic acid methyl ester
Database identifiers
- PubChem CID
- 16116160
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
10 records
Linked notes
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