Ethyl phenyl sulfide

C8H10SCAS 622-38-8138.23 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C8H10S
Molar mass
138.23 g/mol
Exact mass
138.0503 Da
Density
1.0148 g/mL (at 25 °C)
Melting point
−35.21 °C
Boiling point
205 °C
logP
2.80Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
622-38-8
SMILES
CCSc1ccccc1
InChIKey
AEHWKBXBXYNPCX-UHFFFAOYSA-N
InChI
InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3

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

Names and synonyms

9 names
  • Benzene, (ethylthio)-
  • Sulfide, ethyl phenyl
  • (Ethylthio)benzene
  • Phenyl ethyl sulfide
  • (Phenylthio)ethane
  • Thiophenetole
  • NSC 75124
  • (Ethylsulfanyl)benzene
  • Ethyl(phenyl)sulfane

Work with Ethyl phenyl sulfide

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

1,1′-[Methylenebis(thio)]bis[benzene]3561-67-957 % similar 1,1′-[1,2-Ethanediylbis(thio)]bis[benzene]622-20-857 % similar 2-(Phenylthio)acetonitrile5219-61-452 % similar 4-(Ethylthio)benzeneboronic acid145349-76-450 % similar Chloromethyl phenyl sulphide7205-91-650 % similar Benzyl phenyl sulfide831-91-450 % similar 2-Chloroethyl phenyl sulfide5535-49-946 % similar 2-(Phenylthio)ethanol699-12-746 % 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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