Basic information
- Standard SMILES
CCCN(C(N)=S)c1cc(C(=O)O)ccc1OC- InChIKey
HQJCGEAVNLTENG-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3S
- Average molar mass
- 268.33 g/mol
Names & identifiers
- Preferred name
- N-(2-methoxy-5-carboxyphenyl)-N-propylthiourea
- IUPAC
- 3-[carbamothioyl(propyl)amino]-4-methoxybenzoic acid
Names & synonyms
SCHEMBL7560622HQJCGEAVNLTENG-UHFFFAOYSA-NN-(2-methoxy-5-carboxyphenyl)-N-propylthiourea
Database identifiers
- PubChem CID
- 18322253
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
1 records
Compound notes
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