chempirical

Tetradecylthioacetic acid

C16H32O2SCAS 2921-20-2288.49 g/mol

Open in Covalent MOL file
SOOH
Carboxylic acidSulfide

Properties

Molecular formula
C16H32O2S
Molar mass
288.49 g/mol
Exact mass
288.2123 Da
Melting point
64–66 °C
logP
5.51Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
15

Identifiers

CAS number
2921-20-2
SMILES
CCCCCCCCCCCCCCSCC(=O)O
InChIKey
IPBCWPPBAWQYOO-UHFFFAOYSA-N
InChI
InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18)

Weigh it out

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

Names and synonyms

4 names
  • Acetic acid, 2-(tetradecylthio)-
  • Acetic acid, (tetradecylthio)-
  • 2-(Tetradecylthio)acetic acid
  • 1-Mono(carboxymethylthio)tetradecane

Work with Tetradecylthioacetic acid

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

Pentadecylic acid1002-84-257 % similar Enanthic acid111-14-857 % similar Pelargonic acid112-05-057 % similar Undecylic acid112-37-857 % similar Behenic acid112-85-657 % similar Caprylic acid124-07-257 % similar Lauric acid143-07-757 % similar Heneicosylic acid2363-71-557 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia