2-(2-o-Tolyloxy-acetylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic
Basic information
- CAS
300826-09-9- Standard SMILES
CCOC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1CCC2- InChIKey
VJBIDAXFIFLMJR-UHFFFAOYSA-N- Molecular formula
- C19H21NO4S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.11912932
Names & identifiers
- Preferred name
- 2-(2-o-Tolyloxy-acetylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic
- IUPAC
- ethyl 2-[[2-(2-methylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- English name
- ethyl 2-(2-(o-tolyloxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- Molecular formula
- C19H21NO4S
- Molecular weight
- 359.44
Names & synonyms
300826-09-92-(2-o-Tolyloxy-acetylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylicCBKinase1_001007CBKinase1_013407Oprea1_179852Oprea1_385787STK869513AKOS000536140ST50322510SR-01000404758SR-01000404758-1BRD-K26263817-001-01-0
Show more names
4H-Cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-(2-methylphenoxy)acetyl]amino]-, ethyl ester
Z19733357ET 2-(((2-ME-PHO)AC)AMINO)-5,6-DIHYDRO-4H-CYCLOPENTA(B)THIOPHENE-3-CARBOXYLATEethyl 2-(2-(o-tolyloxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-[2-(2-methylphenoxy)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-[2-(2-methylphenoxy)acetylamino]-4,5,6-trihydrocyclopenta[2,1-b]thioph ene-3-carboxylateethyl 2-{[(2-methylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Database identifiers
- CAS
300826-09-9- PubChem CID
- 986434
- EC Number
- 169-052-0
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- Boiling point
- 589.5 · 589.5±50.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- pka
- 12.56 · 12.56±0.20(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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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 CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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