2-Acetyl-3-amino-5-phenylthiophene

C12H11NOSCAS 105707-24-2217.29 g/mol

Open in Covalent MOL file
OSH2N
KetonePrimary amine

Properties

Molecular formula
C12H11NOS
Molar mass
217.29 g/mol
Exact mass
217.0561 Da
logP
3.20Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
105707-24-2
SMILES
CC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N
InChIKey
QAHOJPMILKVSAA-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NOS/c1-8(14)12-10(13)7-11(15-12)9-5-3-2-4-6-9/h2-7H,13H2,1H3

Weigh it out

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

Work with 2-Acetyl-3-amino-5-phenylthiophene

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

1-(3-Amino-5-(4-(1,1-dimethylethyl)phenyl)-2-thienyl)ethanone306935-12-670 % similar Methyl 3-amino-5-phenylthiophene-2-carboxylate100063-22-763 % similar 3-Acetyl-2-methyl-5-phenylthiophene40932-63-654 % similar 1-(3-Amino-5-tert-butylthiophen-2-yl)ethan-1-one175137-06-151 % similar 2'-Aminoacetophenone551-93-949 % similar 2-Acetyl-3-aminothiophene31968-33-947 % similar Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate175137-08-346 % similar Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate91076-93-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook