2,4-Dimethylbenzenethiol

C8H10SCAS 13616-82-5138.23 g/mol

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SH
Thiol

Properties

Molecular formula
C8H10S
Molar mass
138.23 g/mol
Exact mass
138.0503 Da
Melting point
91–93 °C
Boiling point
204–205 °C
logP
2.59Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
13616-82-5
SMILES
Cc1ccc(S)c(C)c1
InChIKey
AMNLXDDJGGTIPL-UHFFFAOYSA-N
InChI
InChI=1S/C8H10S/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3

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Names and synonyms

6 names
  • Benzenethiol, 2,4-dimethyl-
  • 2,4-Xylenethiol
  • 2,4-Thioxylenol
  • 2,4-Dimethylthiophenol
  • NSC 202925
  • 2,4-Dimethylbenzene-1-thiol

Work with 2,4-Dimethylbenzenethiol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Toluene-3,4-dithiol496-74-265 % similar 1,2,4-Trimethylbenzene95-63-657 % similar 1-Iodo-2,4-dimethylbenzene4214-28-256 % similar 2,4-Dimethylphenol105-67-948 % similar N-(2,4-Dimethylphenyl)-2,4-dimethylbenzenamine19616-28-548 % similar Tris(2,4-dimethylphenyl)phosphine49676-42-848 % similar 1-Bromo-2,4-dimethylbenzene583-70-048 % similar 4-Chloro-M-xylene95-66-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dimethylbenzenethiol118-72-9 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 4-Ethylbenzenethiol4946-13-8

Elsewhere

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