Diethyldithiocarbamic acid diethylammonium salt - CAS 1518-58-7
Catalog: |
BB010725 |
Product Name: |
Diethyldithiocarbamic acid diethylammonium salt |
CAS: |
1518-58-7 |
Synonyms: |
Diethylammonium diethyldithiocarbamate; Carbamodithioic acid, N,N-diethyl-, compd. with N-ethylethanamine (1:1); Carbamic acid, diethyldithio-, compd. with diethylamine (1:1); Carbamic acid, diethyldithio-, compd. with Et2NH; Carbamodithioic acid, diethyl-, compd. with N-ethylethanamine (1:1); Diethylamine, diethyldithiocarbamate; Ethanamine, N-ethyl-, diethylcarbamodithioate; Contramine; Diethylammonium diethyldithiocarbamate; Diethylammonium N,N-diethyldithiocarbamate; N,N-Diethyldithiocarbamic acid diethylamine salt; NSC 6248 |
Related CAS: | 147-84-2 (free base)
|
IUPAC Name: | diethylcarbamodithioic acid;N-ethylethanamine |
Description: | Dithiocarbamate complexes serve as hosts for the specific binding of various metal cations. |
Molecular Weight: | 222.41 |
Molecular Formula: | C5H11NS2.C4H11N |
Canonical SMILES: | CCNCC.CCN(CC)C(=S)S |
InChI: | 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,3-4H2,1-2H3 |
InChI Key: | NBGTWXBPCIHUQD-UHFFFAOYSA-N |
Boiling Point: | 125°C |
Melting Point: | 81°C |
Purity: | ≥95% |
Appearance: | White to off-white crystalline powder |
LogP: | 2.54960 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 89.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.12244106 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.12244106 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 48.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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