4-(Methylthio)benzenemethanol

C₈H₁₀OSCAS 3446-90-0154.23 g/mol

Open in Covalent MOL file

Alcohol Sulfide

Properties

Molecular formula: C₈H₁₀OS
Molar mass: 154.23 g/mol
Exact mass: 154.0452 Da
logP: 1.90Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3446-90-0

SMILES

CSc1ccc(CO)cc1

InChIKey

MTXQKSQYMREAGJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H10OS/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3

Weigh it out

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

Names and synonyms

9 names

Benzenemethanol, 4-(methylthio)-
Benzyl alcohol, p-(methylthio)-
4-(Methylthio)benzyl alcohol
p-(Methylthio)benzyl alcohol
4-(Methylmercapto)benzyl alcohol
4-(Hydroxymethyl)phenyl methyl sulfide
[4-(Methylsulfanyl)phenyl]methanol
4-Methylsulfanylbenzyl alcohol
p-Hydroxymethylthioanisole

Work with 4-(Methylthio)benzenemethanol

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-Benzenedimethanol589-29-757 % similar 4-(Methylthio)benzyl chloride874-87-356 % similar 4-(Phenylthio)benzenemethanol6317-56-254 % similar 4-(Methylthio)phenol1073-72-950 % similar 4-(Methylthio)benzeneacetic acid16188-55-950 % similar 4,4'-Bis(hydroxymethyl)biphenyl1667-12-550 % similar 2-(4-(Methylthio)phenyl)acetonitrile38746-92-850 % similar 4-((Trifluoromethyl)thio)benzenemethanol56456-52-150 % 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 1-(2-Thienyl)-1-butanone5333-83-5 4-Methoxybenzylthiol6258-60-2 2-(Phenylthio)ethanol699-12-7

Elsewhere

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