N-Phenylrhodanine
Basic information
- CAS
1457-46-1- Standard SMILES
O=C1CSC(=S)N1c1ccccc1- InChIKey
DVRWEKGUWZINTQ-UHFFFAOYSA-N- Molecular formula
- C9H7NOS2
- Average molar mass
- 209.3 g/mol
- Monoisotopic mass
- 208.99690619
Names & identifiers
- Preferred name
- N-Phenylrhodanine
- IUPAC
- 3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- N-Phenyl-rhodanine
- Molecular formula
- C9H7NOS2
- Molecular weight
- 209.29
Names & synonyms
1457-46-13-PhenylrhodanineN-Phenylrhodanine3-Phenyl-2-thioxo-1,3-thiazolidin-4-one3-PhenylrhodaninRhodanine, 3-phenyl-3-Phenylrodanin4-Thiazolidinone, 3-phenyl-2-thioxo-3-Phenyl-rhodanin3-PHENYL-2-THIOXO-4-THIAZOLIDINONE3-Phenyl-rhodanin [German]NSC 17528
Show more names
AKOS B0290673-PhenylrhodanideN-Phenyl-rhodanineN-Phenyl-rhodanine, 97 %3-PHENYL-2-THIOXO-THIAZOLIDIN-4-ONE
XJZ2D15FXCEINECS 215-940-9BRN 0151293NSC-17528DTXSID9061706N-PHENYL-2-THIOXOTHIAZOLIDIN-4-ONE3-PHENYL-4-THIAZOLIDINONE-2-THIONE3-Phenylrhodanin [German]
Database identifiers
- CAS
1457-46-1- PubChem CID
- 73822
- DTXSID
DTXSID9061706- ChEMBL
CHEMBL2135693- UNII
- XJZ2D15FXC
- EC Number
- 215-940-9
- Nikkaji
- J13.126A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 236
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 190 · 190-194°C
- Boiling point
- 322 · 322.0±25.0 °C(Predicted)
- Density
- 1.3546 · 1.3546 (rough estimate)
- refractive index
- 1.5364 · 1.5364 (estimate)
- pka
- -0.81 · -0.81±0.20(Predicted)
- form
- Crystalline Powder
- color
- White to yellow
- FDA UNII
- 2 D15FXC · XJZ2D15FXC
- EPA Substance Registry System
- 4 · 4-Thiazolidinone, 3-phenyl-2-thioxo- (1457-46-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 4-Thiazolidinone, 3-phenyl-2-thioxo-
Safety data
- tsca
- TSCA listed
- hs_code
- 29349990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Thiazolidinone, 3-phenyl-2-thioxo-: ACTIVE
Related reactions
4 records
Compound notes
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