Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(N=C=S)c2ccccc12- InChIKey
DJCILCDODWNHPP-UHFFFAOYSA-N- Molecular formula
- C11H6N2O2S
- Average molar mass
- 230.24 g/mol
Names & identifiers
- Preferred name
- 4-Nitro-1-naphthyl isothiocyanate
- IUPAC
- 1-isothiocyanato-4-nitronaphthalene
Names & synonyms
4-Nitro-1-naphthyl isothiocyanate1-Isothiocyanato-4-nitronaphthaleneSCHEMBL7117378DJCILCDODWNHPP-UHFFFAOYSA-N4-nitro-1-naphthyi iso thiocyanate
Database identifiers
- PubChem CID
- 18316079
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
Related reactions
2 records
Compound notes
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