chempirical

2-(Phenylthio)ethanol

C8H10OSCAS 699-12-7154.23 g/mol

Open in Covalent MOL file
HOS
AlcoholSulfide

Properties

Molecular formula
C8H10OS
Molar mass
154.23 g/mol
Exact mass
154.0452 Da
Density
1.1145 g/mL (at 24 °C)
Boiling point
120–199 °C (at 4 Torr)
logP
1.77Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
699-12-7
SMILES
OCCSc1ccccc1
InChIKey
KWWZHCSQVRVQGF-UHFFFAOYSA-N
InChI
InChI=1S/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2

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

Names and synonyms

7 names
  • Ethanol, 2-(phenylthio)-
  • 2-Hydroxyethyl phenyl sulfide
  • β-Phenylthioethyl alcohol
  • 2-Phenylsulfanylethanol
  • NSC 57851
  • Phenyl 2-hydroxyethyl sulfide
  • 2-(Phenylsulfanyl)ethan-1-ol

Work with 2-(Phenylthio)ethanol

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

1,2-Bis(phenylthio)ethane622-20-867 % similar 2-Chloroethyl phenyl sulfide5535-49-954 % similar 1,1′-[Methylenebis(thio)]bis[benzene]3561-67-952 % similar 2-[(Phenylmethyl)thio]ethanol3878-41-950 % similar 2-[(4-Nitrophenyl)thio]ethanol13287-76-848 % similar 3,5-Dichlorophenyl thioethanol101079-86-148 % similar Ethyl phenyl sulfide622-38-846 % similar [(Chloromethyl)thio]benzene7205-91-646 % similar

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

Same formula

1-Methoxy-4-(methylthio)benzene1879-16-9 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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