2-(3-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
Basic information
- CAS
333408-47-2- Standard SMILES
O=C(O)C1CSC(c2cccc(F)c2)N1- InChIKey
ZCIDMBKXEBMSLH-UHFFFAOYSA-N- Molecular formula
- C10H10FNO2S
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.0416279
Names & identifiers
- Preferred name
- 2-(3-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
- IUPAC
- 2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
- English name
- 2-(3-Fluorophenyl)-4-thiazolidinecarboxylic acid
- Molecular formula
- C10H10FNO2S
- Molecular weight
- 227.26
Names & synonyms
333408-47-22-(3-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acidDTXSID20333266RefChem:251533DTXCID302843562-(3-fluorophenyl)-4-thiazolidinecarboxylic acid2-(3-fluorophenyl)thiazolidine-4-carboxylic acidNSC687698SCHEMBL3832263STK523066AKOS000186255AKOS016315748
Show more names
2-(3-FLUORO-PHENYL)-THIAZOLIDINE-4-CARBOXYLIC ACID4-Thiazolidinecarboxylic acid, 2-(3-fluorophenyl)-
FF91105ST4060406EU-0095733SR-01000573391SR-01000573391-1
Database identifiers
- CAS
333408-47-2- PubChem CID
- 496375
- DTXSID
DTXSID20333266- EC Number
- 151-435-9
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 425.5 · 425.5±45.0 °C(Predicted)
- Density
- 1.378 · 1.378
- pka
- 1.94 · 1.94±0.40(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…