Methyl 5-(diethylcarbamoyl)thiophene-2-carboxylate

HCID 52267985

Notes Reactions

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Basic information

CAS: 921210-99-3
Standard SMILES: CCN(CC)C(=O)c1ccc(C(=O)OC)s1
InChIKey: NBVXLRCGLDEUSY-UHFFFAOYSA-N
Molecular formula: C11H15NO3S
Average molar mass: 241.31 g/mol
Monoisotopic mass: 241.07726434

Names & identifiers

Preferred name: Methyl 5-(diethylcarbamoyl)thiophene-2-carboxylate
IUPAC: methyl 5-(diethylcarbamoyl)thiophene-2-carboxylate

Names & synonyms

Methyl 5-(diethylcarbamoyl)thiophene-2-carboxylate921210-99-3SCHEMBL1588116DTXSID60680468NBVXLRCGLDEUSY-UHFFFAOYSA-N

Database identifiers

CAS: 921210-99-3
PubChem CID: 52267985
DTXSID: DTXSID60680468

Properties

Computed structural propertiesFilling in

XLogP: 2.3
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 266

Related reactions

2 records

New reaction record

HRID 699363 reaction equation

HRID 699363As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2422802 reaction equation

HRID 2422802As reactantuspto-grants-2011_06

Compound notes

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