2-Methyl-2-(1,3-thiazol-5-yl)propanoic acid
Basic information
- CAS
2025556-80-1- Standard SMILES
CC(C)(C(=O)O)c1cncs1- InChIKey
CMLLZLOJUUBLIZ-UHFFFAOYSA-N- Molecular formula
- C7H9NO2S
- Average molar mass
- 171.22 g/mol
- Monoisotopic mass
- 171.0353997
Names & identifiers
- Preferred name
- 2-Methyl-2-(1,3-thiazol-5-yl)propanoic acid
- IUPAC
- 2-methyl-2-(1,3-thiazol-5-yl)propanoic acid
Names & synonyms
2025556-80-12-methyl-2-(1,3-thiazol-5-yl)propanoic acidRefChem:475028879-071-22-Methyl-2-(thiazol-5-yl)propanoic acid2-methyl-2-(1,3-thiazol-5-yl)propanoicacidSCHEMBL23668407EN300-1139383
Database identifiers
- CAS
2025556-80-1- PubChem CID
- 165490479
- EC Number
- 879-071-2
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 170
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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