4-Methyl-2-oxo-3(2H)-thiazolepropanoic acid
Basic information
- CAS
852399-57-6- Standard SMILES
Cc1csc(=O)n1CCC(=O)O- InChIKey
DXKOQSONWZQQNV-UHFFFAOYSA-N- Molecular formula
- C7H9NO3S
- Average molar mass
- 187.22 g/mol
- Monoisotopic mass
- 187.03031432
Names & identifiers
- Preferred name
- 4-Methyl-2-oxo-3(2H)-thiazolepropanoic acid
- IUPAC
- 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
Names & synonyms
852399-57-63-(4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)propanoic acidDTXSID0012621384-Methyl-2-oxo-3(2H)-thiazolepropanoic acidRefChem:525125DTXCID901692827856-421-23-(4-methyl-2-oxo-1,3-thiazol-3(2H)-yl)propanoic acid3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid3-(4-Methyl-2-oxothiazol-3(2H)-yl)propanoic acidSMR000068508MLS000056025
Show more names
HMS1748B05HMS2362B10AKOS008987554CS-0232654EN300-12794G266383-(4-methyl-2-oxo-thiazol-3-yl)propanoic acid3-(4-Methyl-2-oxothiazol-3(2H)-yl)propanoicacid
Database identifiers
- CAS
852399-57-6- PubChem CID
- 2998482
- DTXSID
DTXSID001262138- EC Number
- 856-421-2
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 249
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, P273, 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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