3-(p-Ethoxyphenyl)-rhodanine
Basic information
- CAS
23517-71-7- Standard SMILES
CCOc1ccc(N2C(=O)CSC2=S)cc1- InChIKey
FDDUMUCIBCSUHO-UHFFFAOYSA-N- Molecular formula
- C11H11NO2S2
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.02312094
Names & identifiers
- Preferred name
- 3-(p-Ethoxyphenyl)-rhodanine
- IUPAC
- 3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- AKOS BBS-00002488
- Molecular formula
- C11H11NO2S2
- Molecular weight
- 253.34
Names & synonyms
23517-71-7Rhodanine, 3-(p-ethoxyphenyl)-3-(p-Ethoxyphenyl)rhodanine3-(p-Ethoxyphenyl)-rhodanineNSC 160629BRN 0196502H706SW97GE3-(4-ETHOXYPHENYL)-2-THIOXO-4-THIAZOLIDINONENSC-160629UNII-H706SW97GEDTXSID901781064-27-00-03194 (Beilstein Handbook Reference)
Show more names
AURORA 10193-(4-ETHOXYPHENYL)-RHODANINE
4-Thiazolidinone, 3-(4-ethoxyphenyl)-2-thioxo-RefChem:198216DTXCID801005973-(4-Ethoxyphenyl)-2-thioxothiazolidin-4-one3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one3-(4-Ethoxy-phenyl)-2-thioxo-thiazolidin-4-one3-(4-ethoxyphenyl)-2-thioxo-1,3-thiazolidin-4-oneAKOS BBS-00002488
Database identifiers
- CAS
23517-71-7- PubChem CID
- 98711
- DTXSID
DTXSID90178106- ChEMBL
CHEMBL1408683- UNII
- H706SW97GE
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
Solubility<0.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- FDA UNII
- 706 SW97GE · H706SW97GE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…