chempirical

Dithiodicaprolactam

C12H20N2O2S2CAS 23847-08-7288.42 g/mol

Open in Covalent MOL file
ONSSNO
AmideDisulfideLactam

Properties

Molecular formula
C12H20N2O2S2
Molar mass
288.42 g/mol
Exact mass
288.0966 Da
logP
3.00Crippen estimate
Polar surface area
40.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
23847-08-7
SMILES
O=C1CCCCCN1SSN1CCCCCC1=O
InChIKey
LGBYJXBCVZKJBL-UHFFFAOYSA-N
InChI
InChI=1S/C12H20N2O2S2/c15-11-7-3-1-5-9-13(11)17-18-14-10-6-2-4-8-12(14)16/h1-10H2

Weigh it out

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

Names and synonyms

14 names · show all
  • 2H-Azepin-2-one, 1,1′-dithiobis[hexahydro-
  • 1,1′-Dithiobis[hexahydro-2H-azepin-2-one]
  • N,N′-Dicaprolactam disulfide
  • N,N′-Dithiodicaprolactam
  • Rhenocure S
  • N,N′-Dithiobis(hexahydro-2H-azepinone)
  • Rhenogran CLD 80
  • CLD 80
  • DTDC
  • DTDC 80
  • Accelerator CLD
  • CLD
  • 1,1′-Dithiodiazepan-2-one
  • 1-[(2-Oxoazepan-1-yl)disulfanyl]azepan-2-one

Work with Dithiodicaprolactam

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

N-Methylcaprolactam2556-73-250 % similar Acetylcaprolactam1888-91-147 % similar Vinylcaprolactam2235-00-945 % similar Laurocapram59227-89-345 % similar N-Octylpyrrolidone2687-94-741 % similar N-Dodecyl-2-pyrrolidone2687-96-941 % similar N1,N1,N6,N6-Tetrakis(2-hydroxyethyl)hexanediamide6334-25-440 % similar N-Methyl-2-pyrrolidone872-50-439 % similar

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

Elsewhere

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