3-(2-Oxo-1,3-thiazolidin-3-yl)propanoic acid
Basic information
- CAS
500541-40-2- Standard SMILES
O=C(O)CCN1CCSC1=O- InChIKey
XJXGOBWSTJVANH-UHFFFAOYSA-N- Molecular formula
- C6H9NO3S
- Average molar mass
- 175.21 g/mol
- Monoisotopic mass
- 175.03031432
Names & identifiers
- Preferred name
- 3-(2-Oxo-1,3-thiazolidin-3-yl)propanoic acid
- IUPAC
- 3-(2-oxo-1,3-thiazolidin-3-yl)propanoic acid
- English name
- 3-(2-Oxo-1,3-thiazolidin-3-yl)propanoic acid
- Molecular formula
- C6H9NO3S
- Molecular weight
- 175.21
Names & synonyms
3-(2-oxo-1,3-thiazolidin-3-yl)propanoic acid500541-40-2DTXSID40298343RefChem:491283DTXCID30249480100-390-33-(2-Oxothiazolidin-3-yl)propanoic acidMFCD076860423-(2-Oxothiazolidin-3-yl)propanoicacidHMS1744J08NSC122625AVA54140
Show more names
3-Thiazolidinepropanoic acid, 2-oxo-
AKOS000118141AT20231NSC-122625NCGC00662524-01BS-28833DB-347463CS-0212943EN300-15148
Database identifiers
- CAS
500541-40-2- PubChem CID
- 275656
- DTXSID
DTXSID40298343- EC Number
- 100-390-3
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- storage temp.
- 2 · 2-8°C
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%)
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Related reactions
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Compound notes
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