1-Ethoxy-4-[(2-isothiocyanatoethyl)thio]benzene
Basic information
- CAS
38752-38-4- Standard SMILES
CCOc1ccc(SCCN=C=S)cc1- InChIKey
XKZOTQMMHYPTOT-UHFFFAOYSA-N- Molecular formula
- C11H13NOS2
- Average molar mass
- 239.4 g/mol
- Monoisotopic mass
- 239.04385639
Names & identifiers
- Preferred name
- 1-Ethoxy-4-[(2-isothiocyanatoethyl)thio]benzene
- IUPAC
- 1-ethoxy-4-(2-isothiocyanatoethylsulfanyl)benzene
Names & synonyms
DTXSID2012437921-Ethoxy-4-[(2-isothiocyanatoethyl)thio]benzene1-Ethoxy-4-[(2-isothiocyanatoethyl)sulfanyl]benzene38752-38-4
Database identifiers
- CAS
38752-38-4- PubChem CID
- 165348596
- DTXSID
DTXSID201243792
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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