chempirical

Pyrantel

C11H14N2SCAS 15686-83-6206.31 g/mol

Open in Covalent MOL file
NNS
AlkeneAmidine

Properties

Molecular formula
C11H14N2S
Molar mass
206.31 g/mol
Exact mass
206.0878 Da
Melting point
178–179 °C
logP
2.50Crippen estimate
Polar surface area
15.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
15686-83-6
SMILES
CN1CCCN=C1/C=C/c1cccs1
InChIKey
YSAUAVHXTIETRK-AATRIKPKSA-N
InChI
InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+

Weigh it out

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

Names and synonyms

7 names
  • Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(2-thienyl)ethenyl]-
  • Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]-, (E)-
  • Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)ethenyl]-, (E)-
  • 1,4,5,6-Tetrahydro-1-methyl-2-[(1E)-2-(2-thienyl)ethenyl]pyrimidine
  • 1,4,5,6-Tetrahydro-1-methyl-2-[trans-2-(2-thienyl)vinyl]pyrimidine
  • Pyrequan
  • Ascarel

Work with Pyrantel

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

Pyrantel pamoate22204-24-658 % similar 4-(2-Thienyl)-3-buten-2-one874-83-942 % similar 3-(2-Thienyl)-2-propenoic acid1124-65-839 % similar (2E)-3-(2-Thienyl)-2-propenoic acid15690-25-239 % similar 1-(4-Methylphenyl)-3-(2-thienyl)-2-propen-1-one6028-89-337 % similar Oxantel pamoate68813-55-836 % similar 1,4,5,6-Tetrahydro-1,2-dimethylpyrimidine4271-96-935 % similar 7-Methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene84030-20-633 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook