2-(2-Hydroxyethylsulfanyl)naphthalene-1,4-dione
Basic information
- CAS
83293-77-0- Standard SMILES
O=C1C=C(SCCO)C(=O)c2ccccc21- InChIKey
IBLOZMPODBITIK-UHFFFAOYSA-N- Molecular formula
- C12H10O3S
- Average molar mass
- 234.27 g/mol
- Monoisotopic mass
- 234.03506535
Names & identifiers
- Preferred name
- 2-(2-Hydroxyethylsulfanyl)naphthalene-1,4-dione
- IUPAC
- 2-(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
Names & synonyms
2-(2-hydroxyethylsulfanyl)naphthalene-1,4-dione83293-77-0DTXSID80302094RefChem:250750DTXCID702532282-[(2-Hydroxyethyl)sulfanyl]naphthalene-1,4-DioneNSC148596SCHEMBL2599403CHEMBL44757351, 2-[(2-hydroxyethyl)thio]-NSC-148596Q27463908
Database identifiers
- CAS
83293-77-0- PubChem CID
- 288087
- DTXSID
DTXSID80302094- ChEMBL
CHEMBL4475735
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 335
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Compound notes
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