1,4-Dihydroxy-2-((2-hydroxyethyl)thio)anthraquinone
Basic information
- CAS
3319-54-8- Standard SMILES
O=C1c2ccccc2C(=O)c2c(O)c(SCCO)cc(O)c21- InChIKey
MEPIQIDDESKQAQ-UHFFFAOYSA-N- Molecular formula
- C16H12O5S
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.04054465
Names & identifiers
- Preferred name
- 1,4-Dihydroxy-2-((2-hydroxyethyl)thio)anthraquinone
- IUPAC
- 1,4-dihydroxy-2-(2-hydroxyethylsulfanyl)anthracene-9,10-dione
- English name
- 1,4-dihydroxy-2-[(2-hydroxyethyl)thio]anthraquinone
- Molecular formula
- C16H12O5S
- Molecular weight
- 316.32848
Names & synonyms
3319-54-81,4-Dihydroxy-2-((2-hydroxyethyl)thio)anthraquinone1,4-dihydroxy-2-((2-hydroxyethyl)thio)anthracene-9,10-dioneEINECS 222-021-6DTXSID30186841MEPIQIDDESKQAQ-UHFFFAOYSA-NNS000294321,4-dihydroxy-2-[(2-hydroxyethyl)sulfanyl]anthracene-9,10-dione1,4-dihydroxy-2-[(2-hydroxyethyl)thio]anthraquinone1,4-Dihydroxy-2-(2-hydroxyethylthio)-9,10-anthracenedione1,4-dihydroxy-2-(2-hydroxyethylsulfanyl)anthracene-9,10-dione
Database identifiers
- CAS
3319-54-8- PubChem CID
- 76831
- DTXSID
DTXSID30186841- EC Number
- 222-021-6
- Nikkaji
- J31.573G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
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Compound notes
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