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21124-33-4 molecular structure
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diethyl[sulfanyl(carbonothioyl)]amine amine

ChemBase ID: 148695
Molecular Formular: C5H14N2S2
Molecular Mass: 166.30806
Monoisotopic Mass: 166.05984046
SMILES and InChIs

SMILES:
CCN(CC)C(=S)S.N
Canonical SMILES:
CCN(C(=S)S)CC.N
InChI:
InChI=1S/C5H11NS2.H3N/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);1H3
InChIKey:
JSYCNFYVINPILE-UHFFFAOYSA-N

Cite this record

CBID:148695 http://www.chembase.cn/molecule-148695.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diethyl[sulfanyl(carbonothioyl)]amine amine
IUPAC Traditional name
amine diethyldithiocarbamate
Synonyms
Diethyldithiocarbamic acid ammonium salt
Ammonium diethyldithiocarbamate
二乙基二硫代氨基甲酸 铵盐
二乙基二硫代氨基甲酸铵
CAS Number
21124-33-4
EC Number
244-224-9
MDL Number
MFCD00043252
Beilstein Number
5796362
PubChem SID
24862087
162242870
PubChem CID
88794

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 88794 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.001002  H Acceptors
H Donor LogD (pH = 5.5) 0.86625016 
LogD (pH = 7.4) 0.8645011  Log P 2.0074608 
Molar Refractivity 45.0157 cm3 Polarizability 17.614712 Å3
Polar Surface Area 3.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
80 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Grade
p.a. expand Show data source
Linear Formula
(C2H5)2NC(S)SSNH4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 359548 external link
Packaging
10 g in glass bottle
Application
Reactant involved in:
• Reactions with copper acetylacetonato complex1
• Triazole compounds2
• Causing accelerated degradation of methyl iodide3
Sigma Aldrich - 09706 external link
Other Notes
Reagent used for the extraction of trace heavy metals, e.g. for AAS4
Application
Reactant involved in:
• Reactions with copper acetylacetonato complex1
• Triazole compounds2
• Causing accelerated degradation of methyl iodide3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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