Basic information
- Standard SMILES
COC(=O)COc1cccc2c1CCCC2S- InChIKey
AEAUTZVSLFXMNX-UHFFFAOYSA-N- Molecular formula
- C13H16O3S
- Average molar mass
- 252.33 g/mol
Names & identifiers
- Preferred name
- 1-Mercapto-1,2,3,4-tetrahydro-5-methoxycarbonylmethoxynaphthalene
- IUPAC
- methyl 2-[(5-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
Names & synonyms
SCHEMBL7482096AEAUTZVSLFXMNX-UHFFFAOYSA-N1-mercapto-1,2,3,4-tetrahydro-5-methoxycarbonylmethoxynaphthalene
Database identifiers
- PubChem CID
- 18367356
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 36.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Related reactions
6 records
Compound notes
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