4-Thiazolidinone, 3-ethyl-5-[(phenylamino)methylene]-2-thioxo-
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Basic information
- CAS
39542-83-1- Standard SMILES
CCn1c(O)c(C=Nc2ccccc2)sc1=S- InChIKey
PXBJDLPPRXOBIZ-UHFFFAOYSA-N- Molecular formula
- C12H12N2OS2
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.03910536
Names & identifiers
- Preferred name
- 4-Thiazolidinone, 3-ethyl-5-[(phenylamino)methylene]-2-thioxo-
- IUPAC
- 3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione
- English name
- 3-ETHYL-5-[(PHENYLAMINO)METHYLENE]-2-THIOXO-4-THIAZOLIDINONE
- Molecular formula
- C12H12N2OS2
- Molecular weight
- 264.37
Names & synonyms
4-Thiazolidinone, 3-ethyl-5-[(phenylamino)methylene]-2-thioxo-DTXSID20681814-Thiazolidinone, 3-ethyl-5-((phenylamino)methylene)-2-thioxo-RefChem:527003DTXCID503964239542-83-13-ethyl-5-[(phenylamino)methylene]-2-thioxo-4-thiazolidinoneMLS0007104153-Ethyl-5-phenylaminomethylene-2-thioxo-thiazolidin-4-one118050-10-5SMR0002801825-(anilinomethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Show more names
AURORA KA-331
EINECS 254-499-75-(Anilinomethylene)-3-ethylrhodanineCBMicro_012954CHEMBL1457146SCHEMBL10036062BDBM74916cid_5373057PXBJDLPPRXOBIZ-NTMALXAHSA-N
Database identifiers
- CAS
39542-83-1- PubChem CID
- 170221
- DTXSID
DTXSID2068181- ChEMBL
CHEMBL1457146- EC Number
- 254-499-7
- Nikkaji
- J261.380H、J3.804.459A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Melting point
- 184 · 184-186 °C (decomp)(Solvent: Acetic acid)
- Boiling point
- 365.959 · 365.959±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.365 · 1.365±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.703 · -1.703±0.20(predicted)
- EPA Substance Registry System
- 4 · 4-Thiazolidinone, 3-ethyl-5-[(phenylamino)methylene]-2-thioxo- (39542-83-1)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Thiazolidinone, 3-ethyl-5-[(phenylamino)methylene]-2-thioxo-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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