1-(3-Amino-5-tert-butylthiophen-2-yl)ethan-1-one

C₁₀H₁₅NOSCAS 175137-06-1197.30 g/mol

Open in Covalent MOL file

Ketone Primary amine

Properties

Molecular formula: C₁₀H₁₅NOS
Molar mass: 197.30 g/mol
Exact mass: 197.0874 Da
logP: 2.83Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

175137-06-1

SMILES

CC(=O)C1=C(C=C(S1)C(C)(C)C)N

InChIKey

RBLSJHKIPYUAAF-UHFFFAOYSA-N

InChI

InChI=1S/C10H15NOS/c1-6(12)9-7(11)5-8(13-9)10(2,3)4/h5H,11H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Acetyl-3-amino-5-T-butylthiophene

Work with 1-(3-Amino-5-tert-butylthiophen-2-yl)ethan-1-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Amino-5-(tert-butyl)thiophene-2-carboxamide175137-04-967 % similar 1-[3-Amino-5-[4-(1,1-dimethylethyl)phenyl]-2-thienyl]ethanone306935-12-661 % similar 4′-tert-Butylacetophenone943-27-139 % similar 1-(2-Aminophenyl)ethanone hydrochloride25384-14-937 % similar Celestolide13171-00-135 % similar 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-235 % similar 3-Amino-2-hydroxyacetophenone70977-72-935 % similar 2′-Amino-4′,5′-methylenedioxyacetophenone hydrochloride93983-01-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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