4-Ethylbenzenethiol

C₈H₁₀SCAS 4946-13-8138.23 g/mol

Open in Covalent MOL file

Thiol

Properties

Molecular formula: C₈H₁₀S
Molar mass: 138.23 g/mol
Exact mass: 138.0503 Da
Boiling point: 207–209 °C (at 730 Torr)
logP: 2.54Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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

4946-13-8

SMILES

CCc1ccc(S)cc1

InChIKey

WWQQPHUHTAZWDH-UHFFFAOYSA-N

InChI

InChI=1S/C8H10S/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3

Weigh it out

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

Names and synonyms

6 names

Benzenethiol, 4-ethyl-
Benzenethiol, p-ethyl-
p-Ethylbenzenethiol
p-Ethylthiophenol
p-Ethylphenylmercaptan
4-Ethylthiophenol

Work with 4-Ethylbenzenethiol

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-Diethylbenzene105-05-567 % similar 4-Ethylpyridine536-75-452 % similar 4-Ethyltoluene622-96-852 % similar Ethylbenzene100-41-450 % similar 4-Ethylphenol123-07-950 % similar 4-Ethylbenzyl chloride1467-05-650 % similar 1-Bromo-4-ethylbenzene1585-07-550 % similar 1-Ethyl-4-iodobenzene25309-64-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dimethylbenzenethiol118-72-9 2,4-Dimethylbenzenethiol13616-82-5 3,4-Dimethylbenzenethiol18800-53-8 3,5-Dimethylbenzenethiol38360-81-5 2,5-Dimethylbenzenethiol4001-61-0 Benzeneethanethiol4410-99-5 4-Methylbenzyl mercaptan4498-99-1 2-Ethylbenzenethiol4500-58-7

Elsewhere

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