chempirical

1-Tetradecanethiol

C14H30SCAS 2079-95-0230.45 g/mol

Open in Covalent MOL file
SH
Thiol

Properties

Molecular formula
C14H30S
Molar mass
230.45 g/mol
Exact mass
230.2068 Da
Density
0.85 g/mL
Melting point
89–90 °C
Boiling point
176–180 °C
logP
5.62Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
12

Identifiers

CAS number
2079-95-0
SMILES
CCCCCCCCCCCCCCS
InChIKey
GEKDEMKPCKTKEC-UHFFFAOYSA-N
InChI
InChI=1S/C14H30S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Tetradecyl mercaptan
  • 1-Mercaptotetradecane
  • Myristyl mercaptan
  • n-Tetradecylmercaptan
  • NSC 57865
  • n-Tetradecyl thiolate
  • 1-Tetradecylthiol

Work with 1-Tetradecanethiol

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-Octadecanethiol2885-00-9100 % similar Hexadecanethiol2917-26-2100 % similar

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

Same formula

Diheptyl sulfide629-65-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook