2-Acetyl-3-aminothiophene

C6H7NOSCAS 31968-33-9141.19 g/mol

Open in Covalent MOL file
OSH2N
KetonePrimary amine

Properties

Molecular formula
C6H7NOS
Molar mass
141.19 g/mol
Exact mass
141.0248 Da
logP
1.53Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
31968-33-9
SMILES
CC(=O)C1=C(C=CS1)N
InChIKey
MMLSKDGCLMDHAJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NOS/c1-4(8)6-5(7)2-3-9-6/h2-3H,7H2,1H3

Weigh it out

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

Work with 2-Acetyl-3-aminothiophene

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

2-Acetyl-3-methylthiophene13679-72-660 % similar 3-Aminothiophene-2-carboxamide147123-47-557 % similar Methyl 3-aminothiophene-2-carboxylate22288-78-455 % similar 2-Acetyl-3-amino-5-phenylthiophene105707-24-247 % similar 2'-Aminoacetophenone551-93-947 % similar 1-(3-Amino-5-tert-butylthiophen-2-yl)ethan-1-one175137-06-146 % similar 2-Acetylthiophene88-15-344 % similar 1-(2-Aminophenyl)ethan-1-one hydrochloride25384-14-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-2-Thienylacetamide13053-81-1 2-Propionylthiazole43039-98-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook