Basic information
- CAS
900587-79-3- Standard SMILES
Cc1ccc(-c2ncsc2C(=O)O)cc1- InChIKey
HGHRNCCZBLGDRV-UHFFFAOYSA-N- Molecular formula
- C11H9NO2S
- Average molar mass
- 219.26 g/mol
- Monoisotopic mass
- 219.0353997
Names & identifiers
- Preferred name
- 4-(4-Methylphenyl)-5-thiazolecarboxylic acid
- IUPAC
- 4-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
Names & synonyms
4-(4-Methylphenyl)-5-thiazolecarboxylic acidSCHEMBL14564467DTXSID201255268900587-79-34-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
Database identifiers
- CAS
900587-79-3- PubChem CID
- 58828776
- DTXSID
DTXSID201255268
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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