Basic information
- Standard SMILES
CCC(C(=O)O)c1cscn1- InChIKey
ZJYRROVECILAHX-UHFFFAOYSA-N- Molecular formula
- C7H9NO2S
- Average molar mass
- 171.22 g/mol
Names & identifiers
- Preferred name
- 2-(1,3-Thiazol-4-yl)butanoic acid
- IUPAC
- 2-(1,3-thiazol-4-yl)butanoic acid
Names & synonyms
2-(1,3-thiazol-4-yl)butanoic acid1190392-85-82-(thiazol-4-yl)butanoic acidSCHEMBL9079332-(thiazol-4-yl)butanoicacidZJYRROVECILAHX-UHFFFAOYSA-NDA-14767EN300-1138770
Database identifiers
- PubChem CID
- 57907602
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Related reactions
4 records
Compound notes
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