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27565-41-9 molecular structure
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3,4-disulfanylbutane-1,2-diol

ChemBase ID: 105855
Molecular Formular: C4H10O2S2
Molecular Mass: 154.251
Monoisotopic Mass: 154.01222156
SMILES and InChIs

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

Cite this record

CBID:105855 http://www.chembase.cn/molecule-105855.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
27565-41-9
EC Number
248-531-9
PubChem SID
162092843
PubChem CID
3027721

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3027721 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.5433  H Acceptors
H Donor LogD (pH = 5.5) -0.41863653 
LogD (pH = 7.4) -0.42148986  Log P -0.41860005 
Molar Refractivity 38.8712 cm3 Polarizability 15.482696 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
42-44°C expand Show data source
Flash Point
> 110°C expand Show data source
Storage Condition
2-8°C expand Show data source
RTECS
XO8576500 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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Risk Statements
R:36/37/38 expand Show data source
Safety Statements
S:20-25-26-37/39 expand Show data source
Purity
>99% expand Show data source
>99.5% expand Show data source
Grade
ELECTROPHORESIS expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 04856126 external link
Electrophoresis Grade
Purity: >99.5%
Useful for stabilizing sulfhydryl-containing enzymes.
MP Biomedicals - 02194821 external link
Molecular Biology Reagent
Purity: >99%
MP Biomedicals - 04856127 external link
(DTT)
Electrophoresis Grade
Purity: >>99.5%
Useful for stabilizing sulfhydryl-containing enzymes.
MP Biomedicals - 04856128 external link
(DTT)
Electrophoresis Grade
Purity: >>99.5%
Useful for stabilizing sulfhydryl-containing enzymes.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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