Basic information
- CAS
35424-93-2- Standard SMILES
COc1cc(CCN=C=S)cc(OC)c1OC- InChIKey
RZLAHZWXEAROQW-UHFFFAOYSA-N- Molecular formula
- C12H15NO3S
- Average molar mass
- 253.32 g/mol
Names & identifiers
- Preferred name
- beta-(3,4,5-Trimethoxyphenyl)ethylisothiocyanate
- IUPAC
- 5-(2-isothiocyanatoethyl)-1,2,3-trimethoxybenzene
- English name
- 2-(3,4,5-Trimethoxyphenyl)ethyl isothiocyanate
- Molecular weight
- 0
Names & synonyms
2-(3,4,5-Trimethoxyphenyl)ethyl isothiocyanate.beta.-(3,4,5-Trimethoxyphenyl)ethylisothiocyanateBenzene, 5-(2-isothiocyanatoethyl)-1,2,3-trimethoxy-RZLAHZWXEAROQW-UHFFFAOYSA-NDB-2599925-(2-Isothiocyanatoethyl)-1,2,3-trimethoxybenzene #35424-93-2
Database identifiers
- CAS
35424-93-2- Nikkaji
- J143.124B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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