Molecule

ID:111715

General Information

Structure

MolImage

Molecular Formula

C₄H₈O₃S

Molecular Mass

136.16952

Exact Mass

136.01941512

Charge

0

InChI

InChI=1S/C4H8O3S/c5-1-2-7-4(6)3-8/h5,8H,1-3H2

InChIKey

QKZQKNCNSNZRFA-UHFFFAOYSA-N

Canonic Smiles

OCCOC(=O)CS

Isomeric Smiles

OCCOC(=O)CS

Calculated Properties

JChem

Acid pKa

9.328006

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-0.5410481

LogD (pH = 7.4)

-0.5457156

Log P

-0.54098827

Molar Refractivity

31.5343

Polarizability

12.631873

Polar Surface Area

46.53

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity