CAS 1192-16-1|2,3-dihydro-1$l^{6}-thiophene-1,1-dione|2,3-Dihydrothiophene 1,1-dioxide|2,3-dihydro-1$l^{6}-thiophene-1,1-dione|2,3-dihydro-1λ<sup>6</sup>-thiophene-1,1-dione|2,3-dihydro-1λ<sup>6</...

General Information

Structure

Molecular Formula

C₄H₆O₂S

Molecular Mass

118.15424

Exact Mass

118.00885043

Charge

InChI

InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1,3H,2,4H2

InChIKey

DYGJDTCGUUMUBL-UHFFFAOYSA-N

Canonic Smiles

O=S1(=O)CCC=C1

Isomeric Smiles

C1=CS(=O)(=O)CC1

Calculated Properties

JChem

Acid pKa

16.003384

H Acceptors

H Donor

LogD (pH = 5.5)

-0.50333256

LogD (pH = 7.4)

-0.50333256

Log P

-0.50333256

Molar Refractivity

27.9285

Polarizability

11.343716

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2,3-dihydro-1$l^{6}-thiophene-1,1-dione 2,3-dihydro-1λ⁶-thiophene-1,1-dione

Synonyms

2,3-Dihydrothiophene 1,1-dioxide

IUPAC name

2,3-dihydro-1$l^{6}-thiophene-1,1-dione 2,3-dihydro-1λ⁶-thiophene-1,1-dione

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• Synonyms

• IUPAC name

Registration numbers

• MDL Number

• CAS Number

• PubChem SID

• PubChem CID

Properties

• Safety Information

• Product Information

• Physical Property

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:64066