2-(2,2-Dimethylpropanamido)-4,5-dimethylthiophene-3-carboxylic acid
Basic information
- CAS
312940-43-5- Standard SMILES
Cc1sc(NC(=O)C(C)(C)C)c(C(=O)O)c1C- InChIKey
OCMAKLGELUOABW-UHFFFAOYSA-N- Molecular formula
- C12H17NO3S
- Average molar mass
- 255.34 g/mol
- Monoisotopic mass
- 255.09291458
Names & identifiers
- Preferred name
- 2-(2,2-Dimethylpropanamido)-4,5-dimethylthiophene-3-carboxylic acid
- IUPAC
- 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylic acid
- English name
- 2-[(2,2-Dimethylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
- Molecular formula
- C12H17NO3S
- Molecular weight
- 255.33
Names & synonyms
312940-43-52-(2,2-dimethylpropanamido)-4,5-dimethylthiophene-3-carboxylic acidRefChem:451702100-405-32-[(2,2-dimethylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylic acidOprea1_450370CHEMBL4925093SCHEMBL23413214SBB078209STK7451032-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylic Acid
Show more names
AKOS000264334DB-392179CS-0232935EN300-12963G37631SR-01000438531SR-01000438531-14,5-dimethyl-2-pivalamidothiophene-3-carboxylic acid
Database identifiers
- CAS
312940-43-5- PubChem CID
- 759992
- ChEMBL
CHEMBL4925093- EC Number
- 100-405-3
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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