chempirical

Pentyl thiocyanate

C6H11NSCAS 32446-40-5129.22 g/mol

Open in Covalent MOL file
SN
NitrileSulfide

Properties

Molecular formula
C6H11NS
Molar mass
129.22 g/mol
Exact mass
129.0612 Da
Density
0.9412 g/mL (at 25 °C)
Boiling point
90–91 °C (at 16 Torr)
logP
2.39Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
32446-40-5
SMILES
CCCCCSC#N
InChIKey
HHAHSQJCFOPSFV-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NS/c1-2-3-4-5-8-6-7/h2-5H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Thiocyanic acid, pentyl ester
  • Pentane, 1-thiocyanato-
  • Amyl thiocyanate
  • n-Pentyl thiocyanate
  • 1-Thiocyanatopentane

Work with Pentyl thiocyanate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butyl thiocyanate628-83-186 % similar Dipentyl disulfide112-51-648 % similar Pentyl sulfide872-10-648 % similar (3-Thiocyanatopropyl)triethoxysilane34708-08-247 % similar Didecyl disulfide10496-18-146 % similar Dodecyl sulfide2469-45-646 % similar Dioctadecyl disulfide2500-88-146 % similar Dioctyl sulfide2690-08-646 % similar

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

Same formula

Pentyl isothiocyanate629-12-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook