CAS 40018-26-6|1,4-dithiane-2,5-diol|1,4-dithiane-2,5-diol|p-Dithiane-2,5-diol|2,5-二羟基-1,4-二噻烷|1,4-二硫-2,5-二醇|1,4-Dithiane-2,5-diol|1,4-Dithiane-2,5-diol|Mercaptoacetaldehyde dimer|2,5-二羟...

General Information

Structure

Molecular Formula

C₄H₈O₂S₂

Molecular Mass

152.23512

Exact Mass

151.9965715

Charge

InChI

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

InChIKey

YUIOPHXTILULQC-UHFFFAOYSA-N

Canonic Smiles

OC1SCC(SC1)O

Isomeric Smiles

S1C(CSC(C1)O)O

Calculated Properties

JChem

Acid pKa

13.380727

H Acceptors

H Donor

LogD (pH = 5.5)

-0.37719026

LogD (pH = 7.4)

-0.3771907

Log P

-0.37719026

Molar Refractivity

37.0144

Polarizability

14.800007

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1,4-dithiane-2,5-diol

Synonyms

p-Dithiane-2,5-diol1,4-二硫-2,5-二醇2,5-二羟基-1,4-二噻烷1,4-Dithiane-2,5-diol1,4-Dithiane-2,5-diol2,5-二羟基噻二烷2,5-Dihydroxy-1,4-dithianeMercaptoacetaldehyde dimer二噻烷Dithian1,4-二硫-2,5-二醇2,5-Dihydroxy-1,4-dithiane2,5-二羟基-1,4-二噻烷1,4-Dithiane-2,5-diol

IUPAC Traditional name

1,4-dithiane-2,5-diol

Names and Identifiers

Registration numbers

CAS Number

40018-26-6

MDL Number

MFCD00006659

Beilstein Number

104402

PubChem SID

248510842484683216203534524901898

EC Number

254-751-6

PubChem CID

98330

FEMA ID

3826

Registration numbers

Properties

Safety Information

IRRITANT

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Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

W382604

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
5 kg in fiber drum

183954

Packaging
50, 250 g in glass bottle

10883

Other Notes
prices for bulk quantities on request
Packaging
100 g in poly bottle
5 kg in poly bottle

Molecule Details

References

PubChem Literature

From Data Sources

• With aldehydes in the presence of ammonia, 2-substituted 3-thiazolines are formed which can be dehydrogenated to the corresponding thiazoles with DDQ or chloranil: Synthesis, 294 (1974).

• Conjugate addition to acrylates leads to tetrahydrothiophene and dihydrothiophene derivatives: Synth. Commun., 14, 483 (1984); J. Org. Chem., 60, 844 (1995):

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

1,4-dithiane-2,5-diol

Synonyms

IUPAC Traditional name

1,4-dithiane-2,5-diol

Registration numbers

CAS Number

40018-26-6

MDL Number

MFCD00006659

Beilstein Number

104402

PubChem SID

248510842484683216203534524901898

EC Number

PubChem CID

FEMA ID

Molecule Details

W382604

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
5 kg in fiber drum

183954

Packaging
50, 250 g in glass bottle

10883

Other Notes
prices for bulk quantities on request
Packaging
100 g in poly bottle
5 kg in poly bottle

References

PubChem Literature

From Data Sources

• With aldehydes in the presence of ammonia, 2-substituted 3-thiazolines are formed which can be dehydrogenated to the corresponding thiazoles with DDQ or chloranil: Synthesis, 294 (1974).

• Conjugate addition to acrylates leads to tetrahydrothiophene and dihydrothiophene derivatives: Synth. Commun., 14, 483 (1984); J. Org. Chem., 60, 844 (1995):

Bioactivity

PubChem BioAssay

Properties

Safety Information

IRRITANT

Download link

Molecule

ID:69619