methyl 2-{[(3,4-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Basic information
- CAS
302803-27-6- Standard SMILES
COC(=O)c1c(NC(=O)COc2ccc(C)c(C)c2)sc2c1CCC2- InChIKey
GVFLVMIQYBHIPM-UHFFFAOYSA-N- Molecular formula
- C19H21NO4S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.11912932
Names & identifiers
- Preferred name
- methyl 2-{[(3,4-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Names & synonyms
methyl 2-{[(3,4-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate302803-27-6Oprea1_236387Oprea1_632925SCHEMBL8288731AKOS001624165methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateST50187912AF-399/13428281SR-01000429759SR-01000429759-1methyl 2-[2-(3,4-dimethylphenoxy)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Show more names
methyl 2-[2-(3,4-dimethylphenoxy)acetylamino]-4,5,6-trihydrocyclopenta[2,1-b]t hiophene-3-carboxylate
Database identifiers
- CAS
302803-27-6- PubChem CID
- 978659
- EC Number
- 144-602-2
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 500
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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