1,4-Dithiane-2,5-diol

Basic Information

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CAS Number

40018-26-6

Molecular Formula

C4H8O2S2

Molecular Weight

152.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

130 °C (dec.)

Boiling Point

360.9℃ at 760 mmHg

Water Solubility

3.9 g/L (20 ºC)

Flash Point

175.5 °C

Solubility

H2O: 0.39% at 20 °C

Refractive Index

1.5200 (estimate)

SMILES

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C1C(SCC(S1)O)O

InChI

InChI=1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2

InChIKey

YUIOPHXTILULQC-UHFFFAOYSA-N

LogP

0.10319999999999996

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

68.4

Safety Information

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GHS Hazard Pictograms

H301

H317

H318

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class 9 Class 9

Sensitiveness

Sensitive to light and humidity

Synonyms & References

English

AKOS000119056
1,4dithiane-2,5diol
A824856
[1,4]-dithiane-2,5-diol
CHEBI:179581
AMY24076
Mercaptoacetaldehyde dimer
p-Dithiane-2,5-diol
NSC-106280
EINECS 254-751-6
P-Dthane-2,5-dol
2,5-Dihydroxy-1,4-dithian
1,4-Dithiane-2,5-diol, produced by Wacker Chemie AG, Burghausen, Germany, >=96% (GC)
1,4-Dithiane-2,5-diol, technical, >=90% (S)
DTXSID90865983
J-523875
NS00005598
40018-26-6
1,4 dithiane-2,5 diol
R4F79F1JB0
P-DIATHANE-2,5-DIOL
D1761
Q27287782
CS-W018087
2,5-Dihydroxy-1,4-dithiane
2,5-DIHYDROXY-1,4-DITHIANE [FHFI]
FT-0610379
1,4-dithian-2,5-diol
EC 254-751-6
F0001-1126
1,4 dithiane-2,5-diol

MDL Number

MFCD00006659

Customs Code

2934999090

FAQ

What is 1,4-Dithiane-2,5-diol (CAS: 40018-26-6)?

1,4-Dithiane-2,5-diol (CAS: 40018-26-6) is an organosulfur compound with the chemical formula C4H10OS2. It features a five-membered thiane ring with two hydroxyl groups and two sulfur atoms. This compound is commonly used in synthetic chemistry for its reactivity and structural versatility, exhibiting properties such as solubility in polar solvents and potential as a functional group precursor.

What are the main uses of 1,4-Dithiane-2,5-diol (CAS: 40018-26-6)?

1,4-Dithiane-2,5-diol (CAS: 40018-26-6) is primarily used in pharmaceuticals as an intermediate for drug synthesis, particularly in compounds requiring sulfur and hydroxyl functionalities. It also finds applications in polymer science and organic research due to its ability to form stable derivatives. Its unique structure makes it valuable in developing materials with tailored chemical properties.

Is 1,4-Dithiane-2,5-diol (CAS: 40018-26-6) safe?

1,4-Dithiane-2,5-diol (CAS: 40018-26-6) requires careful handling due to potential toxicity. While it is generally considered safe in controlled environments, exposure may cause irritation. Safety standards emphasize using personal protective equipment (PPE) and ensuring proper ventilation. Always follow OSHA guidelines to minimize occupational exposure risks.

How should 1,4-Dithiane-2,5-diol (CAS: 40018-26-6) be stored?

1,4-Dithiane-2,5-diol (CAS: 40018-26-6) should be stored in a cool, dry place away from light and moisture. Keep in sealed, airtight containers to maintain stability. It is recommended to store at ambient temperature (15-25°C) and avoid humid conditions to prevent degradation. Always check manufacturer guidelines for specific storage requirements.