Methyl 4-[(3-methylethylphenyl)amino]-5-methylthiothiophene-2-carboxylate

HCID 86584792
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Basic information

Standard SMILES
CCc1c(C)cccc1Nc1cc(C(=S)OC)sc1C
InChIKey
REBWOZWREMWZBQ-UHFFFAOYSA-N
Molecular formula
C16H19NOS2
Average molar mass
305.5 g/mol

Names & identifiers

Preferred name
Methyl 4-[(3-methylethylphenyl)amino]-5-methylthiothiophene-2-carboxylate
IUPAC
O-methyl 4-(2-ethyl-3-methylanilino)-5-methylthiophene-2-carbothioate

Names & synonyms

SCHEMBL6927963REBWOZWREMWZBQ-UHFFFAOYSA-Nmethyl 4-[(3-methylethylphenyl)amino]-5-methylthiothiophene-2-carboxylate

Database identifiers

PubChem CID
86584792

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
81.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

Related reactions

4 records
New reaction record

Compound notes

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