chempirical

Cyclopropyl-2-thienylmethanone

C8H8OSCAS 6193-47-1152.21 g/mol

Open in Covalent MOL file
OS
Ketone

Properties

Molecular formula
C8H8OS
Molar mass
152.21 g/mol
Exact mass
152.0296 Da
logP
2.34Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
6193-47-1
SMILES
O=C(c1cccs1)C1CC1
InChIKey
PJDFNFSTSCAKPC-UHFFFAOYSA-N
InChI
InChI=1S/C8H8OS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6H,3-4H2

Weigh it out

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

Names and synonyms

6 names
  • Methanone, cyclopropyl-2-thienyl-
  • Ketone, cyclopropyl 2-thienyl
  • 2-Thienyl cyclopropyl ketone
  • Cyclopropyl 2-thienyl ketone
  • NSC 70849
  • 2-(Cyclopropylcarbonyl)thiophene

Work with Cyclopropyl-2-thienylmethanone

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

Benzoylcyclopropane3481-02-548 % similar 2-Bromo-1-(thiophen-2-yl)ethan-1-one10531-41-647 % similar 1-(2-Thienyl)-1-propanone13679-75-947 % similar Thiophene-2-carboxylic acid527-72-047 % similar 2-Thiophenecarbonyl chloride5271-67-047 % similar 2-Thiophenecarboxamide5813-89-847 % similar Ethyl 2-thiophenecarboxylate2810-04-044 % similar 1-(2-Thienyl)-1-butanone5333-83-544 % similar

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

Same formula

6,7-Dihydrobenzo[B]thiophen-4(5H)-one13414-95-4 4-(Methylthio)benzaldehyde3446-89-7 4-(2-Thienyl)-3-buten-2-one874-83-9 Phenyl thioacetate934-87-2

Elsewhere

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