Basic information
- Standard SMILES
CN(C)CCOc1ccc(N=C=S)cc1- InChIKey
FZFKVFRCJHDVMS-UHFFFAOYSA-N- Molecular formula
- C11H14N2OS
- Average molar mass
- 222.31 g/mol
- Monoisotopic mass
- 222.08268425
Names & identifiers
- Preferred name
- 4-[2-(Dimethylamino)ethoxy]phenyl isothiocyanate
- IUPAC
- 2-(4-isothiocyanatophenoxy)-N,N-dimethylethanamine
Names & synonyms
4-[2-(dimethylamino)ethoxy]phenyl isothiocyanate627463-06-3SCHEMBL631842FZFKVFRCJHDVMS-UHFFFAOYSA-NDB-331943[2-(4-isothiocyanato-phenoxy)-ethyl]-dimethylamine[2-(4-isothiocyanato-phenoxy)-ethyl]-dimethyl-amine
Database identifiers
- PubChem CID
- 22640971
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Related reactions
5 records
Compound notes
Loading…