Natrium-2,3-dimercaptopropansulfonat

Unithiol

HCID 2724039CAS 4076-02-2

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Grundinformationen

Standard-SMILES: O=S(=O)([O-])CC(S)CS.[Na+]
InChIKey: FGGPAWQCCGEWTJ-UHFFFAOYSA-M
Summenformel: C3H7NaO3S3
Durchschnittliche Molmasse: 210,3 g/mol
Monoisotopische Masse: 209,94550136

Überblick

A chelating agent used as an antidote to heavy metal poisoning.

Namen und Bezeichner

Bevorzugter Name: Unithiol
IUPAC: sodium 2,3-bis(sulfanyl)propane-1-sulfonate
Lokaler Name: Natrium-2,3-dimercaptopropansulfonat
Englischer Name: 2,3-Dimercaptopropanesulfonic acid sodium salt
Summenformel: C3H7NaO3S3
Molmasse: 211.28

Namen und Synonyme

Unithiol4076-02-2Sodium 2,3-dimercapto-1-propanesulfonateSodium 2,3-dimercaptopropane-1-sulfonateUNITIOLsodium 2,3-dimercaptopropanesulfonate1-Propanesulfonic acid, 2,3-dimercapto-, monosodium salt690VN2L7TK2,3-Dimercaptopropane-1-sulfonate Sodium1-Sodium Sulfonate, 2,3-DimercaptopropaneSodium 2,3-DithiopropanesulfateDMPS Heyl

Weitere Namen anzeigen

DMPSUnithiolum2,3-Dimercaptopropylsulfonic acid sodium salt2,3-DIMERCAPTOPROPYLSULPHONIC ACID SODIUM SALT2,3-PROPANEDITHIOL-1-SULPHONIC ACID SODIUM SALTDimaval2,3-sulfonate

DMPS-HeylSodium 2,3-Dimercaptopropane Sulfonate2,3-Dimercaptopropane 1-Sodium SulfonateRefChem:9011282,3-Dithiopropanesulfate, Sodium2,3 Dimercaptopropanesulfonic Acid2,3 Dimercapto 1 propanesulfonic Acid2,3-Dimercaptopropane Sulfonate, Sodium

Datenbank-Bezeichner

CAS: 4076-02-2
PubChem CID: 2724039
DTXSID: DTXSID40958410
UNII: 690VN2L7TK
EC Number: 223-796-3
Nikkaji: J22.264J

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 67,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 10
Formalladung: 0
Komplexität: 160

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Uses -> Chelating Agents

Physical DescriptionSolid; [Merck Index]

Physikochemische Eigenschaften

Schmelzpunkt: 215 °C · 215 °C (dec.)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 2 O: · H2O: 0.1 g/mL, clear
Merck: 14 · 14,3210
BRN: 3734863 · 3734863
InChI: InChI=1S/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);/q;+1/p-1
InChIKey: FGGPAWQCCGEWTJ-UHFFFAOYSA-M
SMILES: S([O-])(=O)(=O)CC(S)CS.[Na+]
CAS Datenbank: 4076 · 4076-02-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

Gefahrenhinweise

Hazards Summary · 1 Eintrag

Causes altered sleep time, muscle weakness, and dyspnea in subcutaneous lethal-dose studies of rats; Causes changes in blood serum composition in intermittent intravenous studies of dogs; [RTECS] Harmful by skin absorption; [Alfa Aesar MSDS] See THIOLS and 1,2-Ethanedithiol.

Toxikologische Informationen

Adverse EffectsOther Poison - Chemical Asphyxiant

Sicherheitsdaten

F: 10-23
wgk: 3
RTECS-Nr.: TZ6420000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36-26

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Agents counteracting or neutralizing the action of POISONS.

Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.

Verwendung und Herstellung

UsesA chelating agent used in cases of metal poisoning; [Merck Index]

Anwendungen

VerwendenSodium 2,3-Dimercaptopropane-1-sulfonate can be used in engineering or chemical process of preparation method of rare earth modified graphene reinforced metal matrix composite bar.