Ammoniumpyrrolidin-1-carbodithioat

Ammonium pyrrolidinedithiocarbamate

HCID 517348CAS 5108-96-3

Grundinformationen

Standard-SMILES
S=C([S-])N1CCCC1.[NH4+]
InChIKey
MDDIUTVUBYEEEM-UHFFFAOYSA-N
Summenformel
C5H12N2S2
Durchschnittliche Molmasse
164,3 g/mol

Überblick

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Namen und Bezeichner

Bevorzugter Name
Ammonium pyrrolidinedithiocarbamate
IUPAC
azanium pyrrolidine-1-carbodithioate
Lokaler Name
Ammoniumpyrrolidin-1-carbodithioat
Englischer Name
Ammonium 1-pyrrolidinedithiocarbamate
Summenformel
C5H9NS2.H3N
Molmasse
164.3

Namen und Synonyme

5108-96-3Ammonium pyrrolidinedithiocarbamateAmmonium 1-PyrrolidinedithiocarbamatePyrrolidinedithiocarbamate ammoniumapdc1-Pyrrolidinecarbodithioic acid ammonium salt1-Pyrrolidinecarbodithioicacid, ammonium salt (1:1)1-Pyrrolidinecarbodithioic acid, ammonuim saltHMS3266N09HMS3675D15AC2534AKOS000121506
Weitere Namen anzeigen
APDTCPYRROLIDINEDITHIOCARBAMATEAPCDAMMONIUM 1-PYRROLIDINECARBODITHIOATEammonium pyrrolidine-1-carbodithioatePDTC, NH4APDC, PDTC
CCG-222337NCGC00261718-01P 8765SCHEMBL463334azanium;pyrrolidine-1-carbodithioatePyrrolidine-N-dithiocarbamic acid ammonium saltazanium pyrrolidine-1-carbodithioateBCP24770

Datenbank-Bezeichner

CAS
5108-96-3
PubChem CID
517348

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Solubility16.6 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt
153 · 153-155 °C(lit.)
Dichte
1.117 · 1.117 (estimate)
Brechungsindex
1.53 · 1.5300 (estimate)
storage temp.
2 °C · Store at +2°C to +8°C.
Löslichkeit
190 g/l · 190g/l
Aggregatzustand
Powder/Solid

Sicherheit und Regulatorisches

Sicherheitsdaten

F
3
wgk
3
tsca
TSCA listed
hs_code
29339990
risk_code
36/37/38-22
hazard_code
Xi,Xn

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungPyrrolidinedithiocarbamic acid (PDTC) is a metal chelating compound that potently and reversibly inhibits NF-κB activation in vitro (100 μM). At 300 μM, it prevents TNF-α gene expression and protein production in human monocytes after LPS application. In vascular smooth muscle cells, PDTC (10 μM) arrests the cell cycle at the G1 phase with upregulation of p21Cip1 through the p38 MAPK pathway. PDTC (100 μM) also has antioxidant properties.

Verwenden1-Pyrrolidinecarbodithioic Acid induces apoptosis in rat smooth muscle cells and inhibits apoptosis in leukemia HL-60 cells. It also prevents induction of nitric oxide synthetase by inhibiting translation of NOS mRNA;

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