Ammonium 1-pyrrolidinedithiocarboxylate

C₅H₁₂N₂S₂CAS 5108-96-3164.28 g/mol

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Properties

Molecular formula: C₅H₁₂N₂S₂
Molar mass: 164.28 g/mol
Exact mass: 164.0442 Da
Melting point: 142–143 °C
logP: 1.46Crippen estimate
Polar surface area: 38.2 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H335 May cause respiratory irritation96.1% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5108-96-3

SMILES

N.S=C(S)N1CCCC1

InChIKey

MDDIUTVUBYEEEM-UHFFFAOYSA-N

InChI

InChI=1S/C5H9NS2.H3N/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);1H3

Weigh it out

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

Names and synonyms

11 names

1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1)
1-Pyrrolidinecarbodithioic acid, ammonium salt
Ammonium 1-pyrrolidinecarbodithioate
Ammonium pyrrolidinecarbodithioate
Ammonium N,N-tetramethylenedithiocarbamate
Ammonium pyrrolidinedithiocarboxylate
APDC
Ammonium pyrrolidine-1-dithiocarbamate
Ammonium pyrrolidine-N-dithiocarbamate
1-Pyrrolidinedithiocarboxylic acid ammonium salt
Ammonium pyrrolidinedithiocarbamate

Work with Ammonium 1-pyrrolidinedithiocarboxylate

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

Piperidinium piperidinedithiocarbamate98-77-163 % similar Diethylammonium diethyldithiocarbamate1518-58-738 % similar 1-Piperidinethiocarboxamide14294-09-836 % similar Dipentamethylenethiuram tetrasulfide120-54-733 % similar Bis(1-piperidinylthioxomethyl) hexasulfide971-15-332 % similar 1,1'-Carbonyldipyrrolidine81759-25-331 % similar

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

Elsewhere

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