1,2-Diethoxy-4-(2-isothiocyanatoethyl)benzene
Basic information
- CAS
32265-80-8- Standard SMILES
CCOc1ccc(CCN=C=S)cc1OCC- InChIKey
YYFDXACOEJGYEP-UHFFFAOYSA-N- Molecular formula
- C13H17NO2S
- Average molar mass
- 251.35 g/mol
- Monoisotopic mass
- 251.09799996
Names & identifiers
- Preferred name
- 1,2-Diethoxy-4-(2-isothiocyanatoethyl)benzene
- IUPAC
- 1,2-diethoxy-4-(2-isothiocyanatoethyl)benzene
- English name
- 1,2-Diethoxy-4-(2-isothiocyanato-ethyl)-benzene
- Molecular formula
- C13H17NO2S
- Molecular weight
- 251.34
Names & synonyms
1,2-diethoxy-4-(2-isothiocyanatoethyl)benzene32265-80-8DTXSID10407506RefChem:215908DTXCID203583581,2-Diethoxy-4-(2-isothiocyanato-ethyl)-benzeneSTK301740AKOS0003062962-(3,4-diethoxyphenyl)ethanisothiocyanateST45061557AK-968/41922460AKOS B016325
Show more names
ART-CHEM-BB B016325Benzene, 1,2-diethoxy-4-(2-isothiocyanatoethyl)-
Database identifiers
- CAS
32265-80-8- PubChem CID
- 5012242
- DTXSID
DTXSID10407506
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- 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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