1,4-disulfanylbutane-2,3-diol

• ChemBase ID: 102214
• Molecular Formular: C4H10O2S2
• Molecular Mass: 154.251
• Monoisotopic Mass: 154.01222156
• SMILES: OC(CS)C(O)CS
• Canonical SMILES: SCC(C(CS)O)O
• InChI: InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2
• InChIKey: VHJLVAABSRFDPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-disulfanylbutane-2,3-diol
• IUPAC Traditional name: dithiotreitol; threitol, 1,4-dithio-, DL-
• Synonyms: 1,4-Dithiothreitol; DTT; 1,4-Dithio-DL-threitol; Cleland Reagent; (±)-threo-1,4-Dimercapto-2,3-butanediol; DL-DITHIOTHREITOL; DTE; Cleland's reagent; 2,3-Dihydroxybutane-1,4-dithiol; Erythro-2,3-dihydroxy-1,4-butanedithiol; Erythro-1,4-dimercapto-2,3-butanediol; DITHIOERYTHRITOL; Cleland's Reagent DTT racemic; (+/-)-threo-1,4-Dimercapto-2,3-butanediol; 1,4-Dithio-DL-threitol; 1,4-二硫代-DL-苏糖醇

Database IDs

• CAS Number: 3483-12-3; 6892-68-8; 27565-41-9
• EC Number: 229-998-8; 248-531-9; 222-468-7
• MDL Number: MFCD00004877
• Beilstein Number: 1719757
• Merck Index: 143376
• PubChem SID: 162089557
• PubChem CID: 19001

CALCULATED PROPERTIES

• Acid pKa: 9.6162195
• H Acceptors: 2
• H Donor: 4
• LogD (pH = 5.5): -0.27845594
• LogD (pH = 7.4): -0.28087094
• Log P: -0.2784251
• Molar Refractivity: 38.8438 cm^3
• Polarizability: 15.481865 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40-43°C; 42-44°C; 82-84°C
• Boiling Point: 125-130°C/12mm
• Flash Point: > 110°C; >110°C(230°F)

Safety Information

• Storage Condition: 2-8°C; 2-8°C, Store Under Nitrogen, Protect from light
• Storage Warning: Air Sensitive
• RTECS: EK1610000; KF2410000; XO8576500
• European Hazard Symbols: X; Irritant (Xi)
• Risk Statements: 22-36/37/38; R:36/37/38
• Safety Statements: 26-36/37; S:20-25-26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: ≥99%; 99%

DETAILS

MP Biomedicals - 02100598

Crystalline
Purity: 99+%
Reagent for maintaining thiols in the reduced state. Also quantitatively reduces disulfides.

MP Biomedicals - 02100597

Protective agent for sulfhydryl groups. Quantitatively reduces disulfides.

MP Biomedicals - 02194820

Molecular Biology Reagent
Purity: 99+%
Ideal for molecular biology applications.

REFERENCES

• Cleland, W.W., Biochem. , 3 : 480 (1964).
• Cleland, W.W., Biochem., 3: 480 (1964).
• Protective agent for preventing oxidation of thiol groups and reagent for reduction of disulfide groups in proteins: Biochemistry, 3, 480 (1964); 11, 2939 (1972); J. Biol. Chem., 243, 716 (1968); Methods Enzymol., 25, 185 (1967); 143, 246 (1987).