Basic information
- CAS
302803-41-4- Standard SMILES
CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc(C)c1C- InChIKey
WTSNOCXPJDTVKK-UHFFFAOYSA-N- Molecular formula
- C20H25NO3S
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.15551483
Names & identifiers
- Preferred name
- Ethyl 2-[(4-tert-butylbenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
- IUPAC
- ethyl 2-[(4-tert-butylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
- English name
- ethyl 2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carboxylate
- Molecular formula
- C20H25NO3S
- Molecular weight
- 359.48
Names & synonyms
302803-41-4ethyl 2-[(4-tert-butylbenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylateETHYL 2-(4-TERT-BUTYLBENZAMIDO)-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATEF0412-0347ethyl 2-(4-(tert-butyl)benzamido)-4,5-dimethylthiophene-3-carboxylateethyl 2-[(4-tert-butylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylateOprea1_146902Oprea1_373953SCHEMBL8288620SMSSF-0014974STK869399AKOS001488358
Show more names
3-Thiophenecarboxylic acid, 2-[[4-(1,1-dimethylethyl)benzoyl]amino]-4,5-dimethyl-, ethyl ester
ST50187924UNM000003527901AE-848/12124446SR-01000429772SR-01000429772-1ethyl 2-(p-tert-butylbenzylamino)-4,5-dimethyl-3-thenoateethyl 2-{[(4-tert-butylphenyl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylateethyl 2-{[4-(tert-butyl)phenyl]carbonylamino}-4,5-dimethylthiophene-3-carboxyl ate
Database identifiers
- CAS
302803-41-4
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Boiling point
- 422.1 · 422.1±45.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- pka
- 13 · 13.00±0.70(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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Suppliers4 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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