Grundinformationen
- Standard-SMILES
OC(CS)C(O)CS- InChIKey
VHJLVAABSRFDPM-UHFFFAOYSA-N- Summenformel
- C4H10O2S2
- Durchschnittliche Molmasse
- 154,3 g/mol
- Monoisotopische Masse
- 154,01222156
Überblick
1,4-dithiothreitol is the threo-diastereomer of 1,4-dimercaptobutane-2,3-diol. It has a role as a chelator, a reducing agent and a human metabolite. It is a dithiol and a 1,4-dimercaptobutane-2,3-diol.
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Dimercapto-2,3-butanediol
- IUPAC
- 1,4-bis(sulfanyl)butane-2,3-diol
- Lokaler Name
- 1,4-Dimercaptobutan-2,3-diol
- Englischer Name
- 1,4-dimercaptobutane-2,3-diol
- Summenformel
- C4H10O2S2
- Molmasse
- 154.25
Namen und Synonyme
1,4-Dimercaptobutane-2,3-diol7634-42-62,3-Butanediol, 1,4-dimercapto-1,4-dimercapto-2,3-butanediolCHEBI:25189DTXSID80859811RefChem:416804GlyTouCan:G05560BADTXCID10209709G05560BA231-563-2dl-Dithiothreitol
Weitere Namen anzeigen
diothiothreitol
1,4-bis(sulfanyl)butane-2,3-diol1,4-Dithio-dl-threitol1,4-disulfanylbutane-2,3-diolrac-DithiothreitolDL-2,3-Dihydroxy-1,4-butanedithiol1,4-Bissulfanylbutane-2,3-diol16096-97-227565-41-9
Datenbank-Bezeichner
- CAS
3483-12-3、7634-42-6- PubChem CID
- 19001
- DTXSID
DTXSID80859811- ChEMBL
CHEMBL47903- ChEBI
CHEBI:18320- EC Number
- 231-563-2
- Nikkaji
- J307.897C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 42,5 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 52
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Sulfur Compounds (Alcohols)
Physical DescriptionWhite powder with an unpleasant odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- EPA chemische Informationen
- 2 · 2,3-Butanediol, 1,4-dimercapto- (7634-42-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Gefahrenhinweise
Hazards Summary
Causes change in righting reflex and alteration of operant conditioning in acute intraperitoneal studies of rats; Intraperitoneal LD50 (mouse) = 169 mg/kg; [RTECS] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See 1,4-Dithiothreitol.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (98.1%)
Acute Tox. 4 (97.5%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information2,3-Butanediol, 1,4-dimercapto-: INACTIVE
Anbieter1 Anbieter
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.
Zugehörige Reaktionen
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