Ethyl 2-amino-4-(bromomethyl)-5-(dimethylcarbamoyl)thiophene-3-carboxylate

HCID 2393645

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Basic information

CAS: 730950-22-8
Standard SMILES: CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1CBr
InChIKey: IKDVFIWRFMOVDX-UHFFFAOYSA-N
Molecular formula: C11H15BrN2O3S
Average molar mass: 335.22 g/mol
Monoisotopic mass: 333.99868

Names & identifiers

Preferred name: Ethyl 2-amino-4-(bromomethyl)-5-(dimethylcarbamoyl)thiophene-3-carboxylate
IUPAC: ethyl 2-amino-4-(bromomethyl)-5-(dimethylcarbamoyl)thiophene-3-carboxylate

Names & synonyms

ethyl 2-amino-4-(bromomethyl)-5-(dimethylcarbamoyl)thiophene-3-carboxylate730950-22-8DTXSID601133901SBB078081EN300-06600ethyl2-amino-4-(bromomethyl)-5-(dimethylcarbamoyl)thiophene-3-carboxylateEthyl 2-amino-4-(bromomethyl)-5-[(dimethylamino)carbonyl]-3-thiophenecarboxylateethyl 2-amino-5-(N,N-dimethylcarbamoyl)-4-(bromomethyl)thiophene-3-carboxylate

Database identifiers

CAS: 730950-22-8
PubChem CID: 2393645
DTXSID: DTXSID601133901

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 101 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 327

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