Basic information
- CAS
51226-84-7- Standard SMILES
O=C(O)C1CSC(c2ccncc2)N1- InChIKey
IYYUJCKJSSPXQQ-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2S
- Average molar mass
- 210.26 g/mol
- Monoisotopic mass
- 210.04629874
Names & identifiers
- Preferred name
- 2-(4-Pyridyl)thiazolidine-4-carboxylic acid
- IUPAC
- 2-pyridin-4-yl-1,3-thiazolidine-4-carboxylic acid
- English name
- 2-(4-pyridyl)thiazolidine-4-carboxylic acid
- Molecular formula
- C9H10N2O2S
- Molecular weight
- 210.25
Names & synonyms
51226-84-72-(4-Pyridyl)thiazolidine-4-carboxylic acid2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acidNSC-303513JZU7FHG252DTXSID709654954-Thiazolidinecarboxylic acid, 2-(4-pyridinyl)-RefChem:84494DTXCID501393164983-130-92-Pyridin-4-yl-thiazolidine-4-carboxylic acid2-pyridin-4-yl-1,3-thiazolidine-4-carboxylic acid
Show more names
2-(Pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid, mixture of diastereomers
2-(Pyridin-4-yl)thiazolidine-4-carboxylic acidMLS000030177MFCD01067254SMR0000093352-(4-pyridyl)-1,3-thiazolidine-4-carboxylic acidNSC6894302-PT-4-CNSC 303513
Database identifiers
- CAS
51226-84-7- PubChem CID
- 99985
- DTXSID
DTXSID70965495- ChEMBL
CHEMBL1446459- UNII
- JZU7FHG252
- EC Number
- 983-130-9
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 460.1 · 460.1±45.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 1.78 · 1.78±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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. 4 (100%)
Chemistry & industry
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
3 records
Compound notes
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