S-(2-Furanylmethyl) propanethioate

C₈H₁₀O₂SCAS 59020-85-8170.23 g/mol

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Properties

Molecular formula: C₈H₁₀O₂S
Molar mass: 170.23 g/mol
Exact mass: 170.0402 Da
logP: 2.45Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

59020-85-8

SMILES

CCC(=O)SCc1ccco1

InChIKey

JNVPDFNCAUOOIT-UHFFFAOYSA-N

InChI

InChI=1S/C8H10O2S/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3

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

Names and synonyms

3 names

Propanethioic acid, S-(2-furanylmethyl) ester
Furfurylthiol propionate
1-[[(Furan-2-yl)methyl]sulfanyl]propan-1-one

Work with S-(2-Furanylmethyl) propanethioate

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

Same formula

[(Methylsulfonyl)methyl]benzene3112-90-1 Methyl P-tolyl sulfone3185-99-7 2-Thiophenebutanoic acid4653-11-6 Ethyl 2-thienylacetate57382-97-5 (Ethylsulfonyl)benzene599-70-2

Elsewhere

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