Ammonium diethyldithiocarbamate - CAS 21124-33-4

Catalog:	BB016623
Product Name:	Ammonium diethyldithiocarbamate
CAS:	21124-33-4
Synonyms:	azanium;N,N-diethylcarbamodithioate

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Computed Properties

IUPAC Name:	azane;diethylcarbamodithioic acid
Description:	Ammonium diethyldithiocarbamate (CAS# 21124-33-4 ) is a useful research chemical.
Molecular Weight:	166.31
Molecular Formula:	C5H14N2S2
Canonical SMILES:	CCN(CC)C(=S)[S-].[NH4+]
InChI:	InChI=1S/C5H11NS2.H3N/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);1H3
InChI Key:	JSYCNFYVINPILE-UHFFFAOYSA-N
Boiling Point:	176.4 °C at 760 mmHg
Melting Point:	80 °C (dec.)(lit.)
Purity:	95 %
Density:	1.086 g/cm³
Storage:	2-8 °C
MDL:	MFCD00043252
LogP:	1.86680

Publication Number	Title	Priority Date
CN-112851283-A	Cementing material capable of solidifying and stabilizing heavy metal ions in tailings	20210127
CN-112626561-A	Method for recovering copper ions in alkaline etching solution	20201126
CN-111320200-A	Cuprous sulfide nano material for electrochemical sensor and preparation method thereof	20200321
WO-2021174284-A1	Combination treatment for microorganisms	20200305
US-2021061818-A1	Bipyridine and bipyrimidine gold(iii) dithiocarbamate complexes and methods of treating cancer	20190828

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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

Complexity:	78.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0598408
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	166.0598408
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0