chempirical

Ethyl 3-(furfurylthio)propionate

C10H14O3SCAS 94278-27-0214.28 g/mol

Open in Covalent MOL file
OOSO
EsterSulfide

Properties

Molecular formula
C10H14O3S
Molar mass
214.28 g/mol
Exact mass
214.0664 Da
logP
2.47Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
94278-27-0
SMILES
CCOC(=O)CCSCc1ccco1
InChIKey
ZKCVVCLCYIXCOD-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O3S/c1-2-12-10(11)5-7-14-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3

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Names and synonyms

2 names
  • Ethyl 3-[(2-furanylmethyl)thio]propanoate
  • Propanoic acid, 3-[(2-furanylmethyl)thio]-, ethyl ester

Work with Ethyl 3-(furfurylthio)propionate

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

Methyl 3-(furfurylthio)propionate94278-26-971 % similar Ethyl 2-furanpropanoate10031-90-068 % similar Methyl (2-furfurylthio)acetate108499-33-856 % similar Furfuryl pentanoate36701-01-651 % similar Ethyl 3-(2-furyl)-3-oxopropanoate615-09-849 % similar Furfuryl propanoate623-19-849 % similar Difurfuryl sulfide13678-67-647 % similar Furfuryl thiopropionate59020-85-846 % similar

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

Same formula

Propyl 4-methylbenzenesulfonate599-91-7 Butyl benzenesulfonate80-44-4

Elsewhere

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