o-Hydroxybenzylideneaminorhodanine
Basic information
- CAS
35533-29-0- Standard SMILES
O=C1CSC(=S)N1N=Cc1ccccc1O- InChIKey
MFYPPBDQQGTAFD-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2S2
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 252.00271985
Names & identifiers
- Preferred name
- o-Hydroxybenzylideneaminorhodanine
- IUPAC
- 3-[(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
MLS002707165Oprea1_549156CHEMBL1703033o-hydroxybenzylideneaminorhodanineDTXSID50956922SMR0015745603-{[(2-Hydroxyphenyl)methylidene]amino}-2-sulfanylidene-1,3-thiazolidin-4-one
Database identifiers
- CAS
35533-29-0- PubChem CID
- 97410
- DTXSID
DTXSID50956922- ChEMBL
CHEMBL1703033
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 333
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Compound notes
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