(4-Sulfanylphenyl)methanol

C7H8OSCAS 53339-53-0140.20 g/mol

Open in Covalent MOL file
OHSH
AlcoholThiol

Properties

Molecular formula
C7H8OS
Molar mass
140.20 g/mol
Exact mass
140.0296 Da
logP
1.47Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
53339-53-0
SMILES
C1=CC(=CC=C1CO)S
InChIKey
XBKHQENGCLDART-UHFFFAOYSA-N
InChI
InChI=1S/C7H8OS/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2

Weigh it out

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

Names and synonyms

1 names
  • 4-Mercaptobenzyl alcohol

Work with (4-Sulfanylphenyl)methanol

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

1,4-Benzenedimethanol589-29-767 % similar 4,4'-Bis(hydroxymethyl)biphenyl1667-12-557 % similar 4-Pyridinemethanol586-95-852 % similar Gastrodigenin623-05-252 % similar Benzyl alcohol100-51-650 % similar 4-(Chloromethyl)benzyl alcohol 9916473-35-150 % similar 4-Iodobenzyl alcohol18282-51-450 % similar [4-(Aminomethyl)phenyl]methanol39895-56-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Methylthio)phenol1073-29-6 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook