3,4-disulfanylbutane-1,2-diol

• ChemBase ID: 105855
• Molecular Formular: C4H10O2S2
• Molecular Mass: 154.251
• Monoisotopic Mass: 154.01222156
• SMILES: OCC(O)C(S)CS
• Canonical SMILES: OCC(C(CS)S)O
• InChI: InChI=1S/C4H10O2S2/c5-1-3(6)4(8)2-7/h3-8H,1-2H2
• InChIKey: LHOLVWOLWSNGKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-disulfanylbutane-1,2-diol
• IUPAC Traditional name: 3,4-disulfanylbutane-1,2-diol
• Synonyms: DL-DITHIOTHREITOL ELECTROPHORESIS GRADE; DL-DITHIOTHREITOL ; DTT; DL-DITHIOTHREITOL

Database IDs

• CAS Number: 27565-41-9
• EC Number: 248-531-9
• PubChem SID: 162092843
• PubChem CID: 3027721

CALCULATED PROPERTIES

• Acid pKa: 9.5433
• H Acceptors: 2
• H Donor: 4
• LogD (pH = 5.5): -0.41863653
• LogD (pH = 7.4): -0.42148986
• Log P: -0.41860005
• Molar Refractivity: 38.8712 cm^3
• Polarizability: 15.482696 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42-44°C
• Flash Point: > 110°C

Safety Information

• Storage Condition: 2-8°C
• RTECS: XO8576500
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

Product Information

• Purity: >99%; >99.5%
• Grade: ELECTROPHORESIS

DETAILS

MP Biomedicals - 04856126

Electrophoresis Grade
Purity: >99.5%
Useful for stabilizing sulfhydryl-containing enzymes.

MP Biomedicals - 02194821

Molecular Biology Reagent
Purity: >99%

MP Biomedicals - 04856127

(DTT)
Electrophoresis Grade
Purity: >>99.5%
Useful for stabilizing sulfhydryl-containing enzymes.

MP Biomedicals - 04856128

(DTT)
Electrophoresis Grade
Purity: >>99.5%
Useful for stabilizing sulfhydryl-containing enzymes.