chempirical

Piperidinium piperidinedithiocarbamate

C11H22N2S2CAS 98-77-1246.43 g/mol

Open in Covalent MOL file
NHSHSN
Secondary amineThiol

Properties

Molecular formula
C11H22N2S2
Molar mass
246.43 g/mol
Exact mass
246.1224 Da
Melting point
172–173 °C
logP
2.45Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
98-77-1
SMILES
C1CCNCC1.S=C(S)N1CCCCC1
InChIKey
PVFZKRMYBKEXBN-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NS2.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2

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

Names and synonyms

15 names · show all
  • 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1)
  • 1-Piperidinecarbodithioic acid, compd. with piperidine
  • 1-Piperidinecarbodithioic acid, piperidine salt
  • Piperidine, 1-piperidinecarbodithioate
  • Piperidinium N,N-pentamethylenedithiocarbamate
  • PMP
  • PMP (accelerator)
  • Piperidinium 1-piperidinecarbodithioate
  • Accelerator 552
  • Pentamethylenedithiocarbamic acid piperidine salt
  • Nocceler PPD
  • NSC 1906
  • NSC 4712
  • Accel PP
  • Pipecolinium pipecolyldithiocarbamate

Work with Piperidinium piperidinedithiocarbamate

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

Ammonium 1-pyrrolidinedithiocarboxylate5108-96-363 % similar Diethylammonium diethyldithiocarbamate1518-58-741 % similar Piperidine110-89-438 % similar Azepane111-49-938 % similar Azocane1121-92-238 % similar Dipentamethylenethiuram tetrasulfide120-54-733 % similar Pyrrolidine123-75-133 % similar 2-(1-Piperazinyl)-1-(1-pyrrolidinyl)ethanone39890-45-433 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook