2-Ethyl-1-hexanethiol

C₈H₁₈SCAS 7341-17-5146.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈S
Molar mass: 146.29 g/mol
Exact mass: 146.1129 Da
Density: 0.8467 g/mL (at 25 °C)
Boiling point: 80 °C (at 19 Torr)
logP: 3.13Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5

Identifiers

CAS number

7341-17-5

SMILES

CCCCC(CC)CS

InChIKey

UCJMHYXRQZYNNL-UHFFFAOYSA-N

InChI

InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

3 names

1-Hexanethiol, 2-ethyl-
2-Ethylhexylmercaptan
2-Ethylhexanethiol

Work with 2-Ethyl-1-hexanethiol

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

Di(2-ethylhexyl)ether10143-60-960 % similar 2-Ethylhexylamine104-75-656 % similar 2-Ethylhexanol104-76-756 % similar Bis(2-ethylhexyl)amine106-20-756 % similar 3-(Chloromethyl)heptane123-04-656 % similar Tris(2-ethylhexyl)amine1860-26-056 % similar 2-Ethylhexyl bromide18908-66-256 % similar Butylcyclopentane2040-95-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl sulfide107-47-1 1-Octanethiol111-88-6 Dibutyl sulfide544-40-1

Elsewhere

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