Basic information
- Standard SMILES
CC(=O)SCC1(C(=O)O)CCc2ccccc2C1- InChIKey
KISXLPBHHODFKD-UHFFFAOYSA-N- Molecular formula
- C14H16O3S
- Average molar mass
- 264.34 g/mol
- Monoisotopic mass
- 264.08201554
Names & identifiers
- Preferred name
- 2-Carboxy-2-[(acetylthio)methyl]-1,2,3,4-tetrahydronaphthalene
- IUPAC
- 2-(acetylsulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Names & synonyms
SCHEMBL7302752KISXLPBHHODFKD-UHFFFAOYSA-N2-Carboxy-2-[(acetylthio)methyl]-1,2,3,4-tetrahydronaphthalene
Database identifiers
- PubChem CID
- 19789935
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Related reactions
3 records
Compound notes
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