Basic information
- Standard SMILES
S=C=NC1CCCc2ccccc21- InChIKey
ZQBGMSSJXYYZET-UHFFFAOYSA-N- Molecular formula
- C11H11NS
- Average molar mass
- 189.28 g/mol
Names & identifiers
- Preferred name
- 1-Isothiocyanato-1,2,3,4-tetrahydronaphthalene
- IUPAC
- 1-isothiocyanato-1,2,3,4-tetrahydronaphthalene
Names & synonyms
1-isothiocyanato-1,2,3,4-tetrahydronaphthaleneSCHEMBL3541909ZQBGMSSJXYYZET-UHFFFAOYSA-NAKOS0115898101,2,3,4-tetrahydro-1-naphthyl isothiocyanate
Database identifiers
- PubChem CID
- 21393478
- Nikkaji
- J2.477.159H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Related reactions
8 records
Linked notes
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