chempirical

S-(2-Furanylmethyl) methanethioate

C6H6O2SCAS 59020-90-5142.17 g/mol

Open in Covalent MOL file
OSO
Sulfide

Properties

Molecular formula
C6H6O2S
Molar mass
142.17 g/mol
Exact mass
142.0089 Da
logP
1.70Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
59020-90-5
SMILES
O=CSCc1ccco1
InChIKey
GFAOAYJTEVHTLA-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2

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Names and synonyms

1 names
  • Methanethioic acid, S-(2-furanylmethyl) ester

Work with S-(2-Furanylmethyl) methanethioate

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

Difurfuryl sulfide13678-67-657 % similar Difurfuryl disulfide4437-20-157 % similar 2-[(Methylthio)methyl]furan1438-91-152 % similar Furfuryl methyl disulfide57500-00-248 % similar Furfurylthiol acetate13678-68-747 % similar 2-[[(1-Methylethyl)thio]methyl]furan1883-78-947 % similar 2-Ethylfuran3208-16-047 % similar Methyl (2-furfurylthio)acetate108499-33-845 % similar

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

Same formula

3,4-Ethylenedioxythiophene126213-50-1 Methyl 2-thiofuroate13679-61-3 4-Methyl-2-thiophenecarboxylic acid14282-78-1 Thiophene-2-acetic acid1918-77-0 5-Methyl-2-thiophenecarboxylic acid1918-79-2 Methyl 3-thiophenecarboxylate22913-26-4 3-Methyl-2-thiophenecarboxylic acid23806-24-8 Methyl 2-thiophenecarboxylate5380-42-7

Elsewhere

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