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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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 Methyl 3-amino-5-tert-butylthiophene-2-carboxylate175137-03-862 % similar 1-(3-Amino-5-(4-(1,1-dimethylethyl)phenyl)-2-thienyl)ethanone306935-12-661 % similar 2-Acetyl-3-amino-5-phenylthiophene105707-24-251 % similar 2-Acetyl-3-aminothiophene31968-33-946 % similar 2'-Aminoacetophenone551-93-939 % similar 4′-tert-Butylacetophenone943-27-139 % similar 3',5'-Bis(tert-butyl)-4'-hydroxyacetophenone14035-33-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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