chempirical

(4-Hydroxy-3-methoxyphenyl)-4-morpholinylmethanethione

C12H15NO3SCAS 17692-71-6253.32 g/mol

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OSNOHO
EtherPhenol

Properties

Molecular formula
C12H15NO3S
Molar mass
253.32 g/mol
Exact mass
253.0773 Da
logP
1.41Crippen estimate
Polar surface area
41.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
17692-71-6
SMILES
COc1cc(C(=S)N2CCOCC2)ccc1O
InChIKey
WQYRHRAZNNRDIA-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO3S/c1-15-11-8-9(2-3-10(11)14)12(17)13-4-6-16-7-5-13/h2-3,8,14H,4-7H2,1H3

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Names and synonyms

9 names
  • Methanethione, (4-hydroxy-3-methoxyphenyl)-4-morpholinyl-
  • Morpholine, 4-(thiovanilloyl)-
  • Morpholine, 4-[(4-hydroxy-3-methoxyphenyl)thioxomethyl]-
  • 4-(Thiovanilloyl)morpholine
  • Vanitiolide
  • Bildux
  • Vanitiolid
  • NSC 406669
  • (4-Hydroxy-3-methoxyphenyl)(morpholino)methanethione

Work with (4-Hydroxy-3-methoxyphenyl)-4-morpholinylmethanethione

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

Propiovanillone1835-14-949 % similar Apocynin498-02-249 % similar Methyl vanillate3943-74-648 % similar Ethyl vanillate617-05-047 % similar Dimethomorph110488-70-543 % similar 2-Methoxyhydroquinone824-46-443 % similar 4-Ethylguaiacol2785-89-942 % similar Vanillyl alcohol498-00-042 % similar

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

Same formula

Benzylmercapturic acid19542-77-9 Thiorphan76721-89-6

Elsewhere

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