Diethylammonium diethyldithiocarbamate
Properties
- Molecular formula
- C9H22N2S2
- Molar mass
- 222.41 g/mol
- Exact mass
- 222.1224 Da
- Melting point
- 81 °C
- Boiling point
- 125 °C
- logP
- 2.16Crippen estimate
- Polar surface area
- 15.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation98.4% of notifiers
- H319 Causes serious eye irritation98.4% of notifiers
- H335 May cause respiratory irritation96.8% of notifiers
Aggregated from 62 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
1518-58-7SMILES
CCN(CC)C(=S)S.CCNCCInChIKey
NBGTWXBPCIHUQD-UHFFFAOYSA-NInChI
InChI=1S/C5H11NS2.C4H11N/c1-3-6(4-2)5(7)8;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Carbamodithioic acid, N,N-diethyl-, compd. with N-ethylethanamine (1:1)
- Carbamic acid, diethyldithio-, compd. with diethylamine (1:1)
- Carbamodithioic acid, diethyl-, compd. with N-ethylethanamine (1:1)
- Carbamic acid, diethyldithio-, compd. with Et2NH
- Diethylamine, diethyldithiocarbamate
- Ethanamine, N-ethyl-, diethylcarbamodithioate
- Diethylammonium N,N-diethyldithiocarbamate
- Contramine
- N,N-Diethyldithiocarbamic acid diethylamine salt
- NSC 6248
- Diethyldithiocarbamic acid diethylammonium salt
Work with Diethylammonium diethyldithiocarbamate
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Piperidinium piperidinedithiocarbamate98-77-141 % similar
Diethylamine109-89-738 % similar
Ammonium 1-pyrrolidinedithiocarboxylate5108-96-338 % similar
Diethylthiocarbamoyl chloride88-11-935 % similar
Tetraethylthiuram disulfide97-77-835 % similar
Titanium tetrakis(diethylamine)4419-47-033 % similar
Diethylamine hydrobromide6274-12-033 % similar
Diethylammonium chloride660-68-433 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.