chempirical

2,5-Diethoxythiophenol

C10H14O2SCAS 29236-93-9198.28 g/mol

Open in Covalent MOL file
OOSH
EtherThiol

Properties

Molecular formula
C10H14O2S
Molar mass
198.28 g/mol
Exact mass
198.0715 Da
logP
2.77Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

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
29236-93-9
SMILES
CCOC1=CC(=C(C=C1)OCC)S
InChIKey
JUAWFBZRMQIAID-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O2S/c1-3-11-8-5-6-9(12-4-2)10(13)7-8/h5-7,13H,3-4H2,1-2H3

Weigh it out

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

Work with 2,5-Diethoxythiophenol

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

2-Chloro-1,4-diethoxybenzene52196-74-458 % similar 2,5-Diethoxyaniline94-85-958 % similar 1,4-Diethoxybenzene122-95-252 % similar 3-Ethoxy thiophenol86704-82-752 % similar 1,3-Diethoxybenzene2049-73-250 % similar 1,4-Diethoxy-2-nitrobenzene119-23-349 % similar 2,5-Dimethoxythiophenol1483-27-848 % similar 3,4-Diethoxyaniline39052-12-547 % similar

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

Elsewhere

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