chempirical

3-Ethoxy thiophenol

C8H10OSCAS 86704-82-7154.23 g/mol

Open in Covalent MOL file
OSH
EtherThiol

Properties

Molecular formula
C8H10OS
Molar mass
154.23 g/mol
Exact mass
154.0452 Da
logP
2.37Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

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
86704-82-7
SMILES
CCOC1=CC(=CC=C1)S
InChIKey
RTJMJGJLVSKSEB-UHFFFAOYSA-N
InChI
InChI=1S/C8H10OS/c1-2-9-7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3

Weigh it out

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Names and synonyms

1 names
  • 3-Ethoxybenzenethiol

Work with 3-Ethoxy thiophenol

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

1,3-Diethoxybenzene2049-73-272 % similar 1-Ethoxy-3-fluorobenzene458-03-760 % similar 1-Bromo-3-ethoxybenzene2655-84-758 % similar 3-Ethoxybenzenamine621-33-058 % similar 3-Ethoxyphenol621-34-158 % similar Ethyl phenyl ether103-73-156 % similar 3-Methoxybenzenethiol15570-12-455 % similar 3-Ethoxybenzaldehyde22924-15-853 % similar

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

Same formula

1-Methoxy-4-(methylthio)benzene1879-16-9 2-Methoxythioanisole2388-73-0 3-Methoxythioanisole2388-74-1 3-Acetyl-2,5-dimethylthiophene2530-10-1 3-Methyl-4-(methylthio)phenol3120-74-9 4-(Methylthio)benzenemethanol3446-90-0 1-(2-Thienyl)-1-butanone5333-83-5 4-Methoxybenzylthiol6258-60-2

Elsewhere

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