chempirical

1-Octadecanethiol

C18H38SCAS 2885-00-9286.56 g/mol

Open in Covalent MOL file
SH
Thiol

Properties

Molecular formula
C18H38S
Molar mass
286.56 g/mol
Exact mass
286.2694 Da
Melting point
30 °C
Boiling point
360 °C
logP
7.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
16

Identifiers

CAS number
2885-00-9
SMILES
CCCCCCCCCCCCCCCCCCS
InChIKey
QJAOYSPHSNGHNC-UHFFFAOYSA-N
InChI
InChI=1S/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • Octadecyl mercaptan
  • Stearyl mercaptan
  • n-Octadecyl mercaptan
  • Octadecanethiol
  • 1-Mercaptooctadecane
  • 1-Octadecyl mercaptan
  • Octadecylthiol
  • n-Octadecanethiol
  • NSC 5545
  • n-Octadecyl thiolate
  • 1-Octadecylthiol

Work with 1-Octadecanethiol

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-Hexanethiol111-31-9100 % similar 1-Octanethiol111-88-6100 % similar 1-Dodecanethiol112-55-0100 % similar 1-Decanethiol143-10-2100 % similar 1-Nonanethiol1455-21-6100 % similar 1-Heptanethiol1639-09-4100 % similar 1-Tetradecanethiol2079-95-0100 % similar Hexadecanethiol2917-26-2100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook