chempirical

1-Nonanethiol

C9H20SCAS 1455-21-6160.32 g/mol

Open in Covalent MOL file
SH
Thiol

Properties

Molecular formula
C9H20S
Molar mass
160.32 g/mol
Exact mass
160.1286 Da
Density
0.8386 g/mL (at 20 °C)
Melting point
−20.1 °C
Boiling point
220 °C
logP
3.67Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Identifiers

CAS number
1455-21-6
SMILES
CCCCCCCCCS
InChIKey
ZVEZMVFBMOOHAT-UHFFFAOYSA-N
InChI
InChI=1S/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Nonyl mercaptan
  • n-Nonyl mercaptan
  • Nonylthiol
  • n-Nonanethiol
  • n-Nonylthiol
  • Nonanethiol
  • 1-Mercaptononane
  • NSC 5563

Work with 1-Nonanethiol

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-Heptanethiol1639-09-4100 % similar 1-Tetradecanethiol2079-95-0100 % similar 1-Octadecanethiol2885-00-9100 % similar Hexadecanethiol2917-26-2100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook