4-{[(3-Methyl-2-thienyl)methyl]amino}benzoic acid
Basic information
- CAS
869950-51-6- Standard SMILES
Cc1ccsc1CNc1ccc(C(=O)O)cc1- InChIKey
PVOPXJDFVBSJES-UHFFFAOYSA-N- Molecular formula
- C13H13NO2S
- Average molar mass
- 247.31 g/mol
- Monoisotopic mass
- 247.06669983
Names & identifiers
- Preferred name
- 4-{[(3-Methyl-2-thienyl)methyl]amino}benzoic acid
- IUPAC
- 4-[(3-methylthiophen-2-yl)methylamino]benzoic acid
Names & synonyms
869950-51-64-{[(3-methyl-2-thienyl)methyl]amino}benzoic acidMFCD073915314-{[(3-methylthiophen-2-yl)methyl]amino}benzoic acid4-[(3-methylthiophen-2-yl)methylamino]benzoic acid4-(((3-Methylthiophen-2-yl)methyl)amino)benzoic acid4-([(3-methyl-2-thienyl)methyl]amino)benzoic acidDTXSID00424585STK280255AKOS000284746BS-360904-[(3-methyl-2-thienyl)methylamino]benzoic acid
Show more names
AN-465/41988532F3161344-(((3-Methylthiophen-2-yl)methyl)amino)benzoicacid
Database identifiers
- CAS
869950-51-6- PubChem CID
- 6487249
- DTXSID
DTXSID00424585
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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