Rhodanine, 3-(m-hydroxyphenyl)-
Basic information
- CAS
23517-76-2- Standard SMILES
O=C1CSC(=S)N1c1cccc(O)c1- InChIKey
MOOHYYNHIDAVIG-UHFFFAOYSA-N- Molecular formula
- C9H7NO2S2
- Average molar mass
- 225.3 g/mol
- Monoisotopic mass
- 224.99182081
Names & identifiers
- Preferred name
- Rhodanine, 3-(m-hydroxyphenyl)-
- IUPAC
- 3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 3-(3-HYDROXYPHENYL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
- Molecular formula
- C9H7NO2S2
- Molecular weight
- 225.29
Names & synonyms
23517-76-2Rhodanine, 3-(m-hydroxyphenyl)-3-(m-Hydroxyphenyl)rhodanineDTXSID50178107RefChem:379276DTXCID401005983-(3-Hydroxy-phenyl)-2-thioxo-thiazolidin-4-one3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one4-thiazolidinone, 3-(3-hydroxyphenyl)-2-thioxo-3-(3-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one3-(3-hydroxyphenyl)-2-thioxothiazolidin-4-oneOprea1_409480
Show more names
AURORA 16831AKOS BBS-00002455IFLAB-BB F0207-0596OTAVA-BB BB01121201413-(3-HYDROXYPHENYL)RHODANINE
Oprea1_499651MLS001165139IFLab1_000616SCHEMBL8206174CHEMBL1564901HMS1413L22HMS2851O12YAA51776
Database identifiers
- CAS
23517-76-2- PubChem CID
- 211701
- DTXSID
DTXSID50178107- ChEMBL
CHEMBL1564901
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 270
Experimental & physicochemical properties
Solubility29 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 192 · 192-194 °C
- Boiling point
- 410.7 · 410.7±47.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 9.58 · 9.58±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
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Compound notes
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