chempirical

1-Decanethiol

C10H22SCAS 143-10-2174.35 g/mol

Open in Covalent MOL file
SH
Thiol

Properties

Molecular formula
C10H22S
Molar mass
174.35 g/mol
Exact mass
174.1442 Da
Density
0.84 g/mL
Melting point
−26 °C
Boiling point
241 °C
logP
4.06Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
8

Identifiers

CAS number
143-10-2
SMILES
CCCCCCCCCCS
InChIKey
VTXVGVNLYGSIAR-UHFFFAOYSA-N
InChI
InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Decanethiol
  • Decyl mercaptan
  • 1-Mercaptodecane
  • 1-Decylthiol
  • n-Decanethiol
  • NSC 850
  • n-Decylthiol

Work with 1-Decanethiol

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-Octanethiol111-88-6100 % similar 1-Dodecanethiol112-55-0100 % similar 1-Nonanethiol1455-21-6100 % similar 1-Heptanethiol1639-09-4100 % similar 1-Tetradecanethiol2079-95-0100 % similar 1-Octadecanethiol2885-00-9100 % similar Hexadecanethiol2917-26-2100 % similar 1-Undecanethiol5332-52-5100 % similar

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

Same formula

Pentyl sulfide872-10-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook