chempirical

Tetradecyl isothiocyanate

C15H29NSCAS 3224-48-4255.46 g/mol

Open in Covalent MOL file
NS
Isothiocyanate

Properties

Molecular formula
C15H29NS
Molar mass
255.46 g/mol
Exact mass
255.2021 Da
logP
5.79Crippen estimate
Polar surface area
12.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
13

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3224-48-4
SMILES
CCCCCCCCCCCCCCN=C=S
InChIKey
PMVOXLZEOLARED-UHFFFAOYSA-N
InChI
InChI=1S/C15H29NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17/h2-14H2,1H3

Weigh it out

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

Work with Tetradecyl isothiocyanate

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

Dodecyl isothiocyanate1072-32-8100 % similar 1-Isothiocyanatooctadecane2877-26-1100 % similar Hexyl isothiocyanate4404-45-9100 % similar Heptyl isothiocyanate4426-83-9100 % similar 1-Isothiocyanatooctane4430-45-9100 % similar Pentyl isothiocyanate629-12-995 % similar Butyl isothiocyanate592-82-582 % similar 1,4-Diisothiocyanatobutane4430-51-767 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook