2-(Methylthio)phenol

C7H8OSCAS 1073-29-6140.20 g/mol

Open in Covalent MOL file
SHO
PhenolSulfide

Properties

Molecular formula
C7H8OS
Molar mass
140.20 g/mol
Exact mass
140.0296 Da
Density
1.168 g/mL (at 25 °C)
Melting point
84–85 °C
Boiling point
148–151 °C (at 14 Torr)
logP
2.11Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,384 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
1073-29-6
SMILES
CSc1ccccc1O
InChIKey
SOOARYARZPXNAL-UHFFFAOYSA-N
InChI
InChI=1S/C7H8OS/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Phenol, 2-(methylthio)-
  • Phenol, o-(methylthio)-
  • o-Hydroxythioanisole
  • o-(Methylthio)phenol
  • 2-Hydroxythioanisole
  • 2-(Methylmercapto)phenol
  • Methyl 2-hydroxyphenyl sulfide
  • NSC 75839

Work with 2-(Methylthio)phenol

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-Bromothioanisole19614-16-550 % similar 2-Methylsulfanylphenylboronic acid168618-42-648 % similar 2-(Methylthio) benzaldehyde7022-45-948 % similar 2-Chlorophenyl methyl sulfide17733-22-148 % similar 2-(Methylthio)aniline2987-53-348 % similar 1-Iodo-2-methylsulfanylbenzene33775-94-948 % similar 2-Fluorothioanisole655-20-948 % similar Catechol120-80-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Methylthio)phenol1073-72-9 Methyl phenyl sulfoxide1193-82-4 2-Acetyl-3-methylthiophene13679-72-6 2-Acetyl-4-methylthiophene13679-73-7 2-Acetyl-5-methylthiophene13679-74-8 1-(2-Thienyl)-1-propanone13679-75-9 3-Methoxybenzenethiol15570-12-4 2,5-Dimethylthiophene-3-carbaldehyde26421-44-3

Elsewhere

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