Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate

HCID 4115498

Notes Reactions

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Basic information

Standard SMILES: COC(=O)c1sc(C)c(C)c1N
InChIKey: IRHWFQBHNJAQEX-UHFFFAOYSA-N
Molecular formula: C8H11NO2S
Average molar mass: 185.25 g/mol

Names & identifiers

Preferred name: Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate
IUPAC: methyl 3-amino-4,5-dimethylthiophene-2-carboxylate

Names & synonyms

methyl 3-amino-4,5-dimethylthiophene-2-carboxylate98593-57-8SCHEMBL5642877IRHWFQBHNJAQEX-UHFFFAOYSA-NAKOS006278621DA-00055methyl 3-amino-4,5-dimethyl-2-thiophenecarboxylatemethyl 3-amino-4-methyl-2-thiophenecarboxylic acid methyl ester

Database identifiers

PubChem CID: 4115498

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 186

Related reactions

3 records

New reaction record

HRID 1181261As reactantuspto-grants-2007_10

HRID 1633485As reactantuspto-grants-2003_01

HRID 2211431As reactantuspto-grants-2006_09

Compound notes

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