chempirical

N1,N2-Didodecylethanedithioamide

C26H52N2S2CAS 120-88-7456.84 g/mol

Open in Covalent MOL file
NHSSNH

Properties

Molecular formula
C26H52N2S2
Molar mass
456.84 g/mol
Exact mass
456.3572 Da
Melting point
52–53 °C
logP
8.66Crippen estimate
Polar surface area
24.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
22

Identifiers

CAS number
120-88-7
SMILES
CCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCC
InChIKey
MQCQUDOKUAAVFO-UHFFFAOYSA-N
InChI
InChI=1S/C26H52N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25(29)26(30)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)

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

Names and synonyms

8 names
  • Ethanedithioamide, N1,N2-didodecyl-
  • Oxamide, N,N′-didodecyldithio-
  • Ethanedithioamide, N,N′-didodecyl-
  • N,N′-Didodecyldithiooxamide
  • N,N′-Bis(dodecyl)dithiooxamide
  • N,N′-Didodecyldithioxamide
  • N,N′-Didodecylethanedithioamide
  • NSC 44699

Work with N1,N2-Didodecylethanedithioamide

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

Octylthiourea13281-03-361 % similar N-Octadecylurea2158-08-956 % similar Dioctylamine1120-48-550 % similar Didecylamine1120-49-650 % similar Dihexylamine143-16-850 % similar Ditetradecylamine17361-44-350 % similar Diheptylamine2470-68-050 % similar Didodecylamine3007-31-650 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook