chempirical

Hexadecanethiol

C16H34SCAS 2917-26-2258.51 g/mol

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SH
Thiol

Properties

Molecular formula
C16H34S
Molar mass
258.51 g/mol
Exact mass
258.2381 Da
Density
0.84 g/mL
Melting point
18 °C
Boiling point
334 °C
logP
6.40Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
14

Identifiers

CAS number
2917-26-2
SMILES
CCCCCCCCCCCCCCCCS
InChIKey
ORTRWBYBJVGVQC-UHFFFAOYSA-N
InChI
InChI=1S/C16H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • 1-Hexadecanethiol
  • Cetyl mercaptan
  • n-Hexadecyl mercaptan
  • Hexadecyl mercaptan
  • n-Hexadecanethiol
  • n-Hexadecylthiol
  • Hexadecylthiol
  • 1-Mercaptohexadecane
  • NSC 229611
  • NSC 57866
  • n-Hexadecyl thiolate
  • 1-Hexadecylthiol

Work with Hexadecanethiol

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 1-Octadecanethiol2885-00-9100 % similar

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

Same formula

Dioctyl sulfide2690-08-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia