Molecule

ID:111242

General Information

Structure

MolImage

Molecular Formula

C₃H₈S₂

Molecular Mass

108.22562

Exact Mass

108.00674226

Charge

0

InChI

InChI=1S/C3H8S2/c1-3(5)2-4/h3-5H,2H2,1H3

InChIKey

YGKHJWTVMIMEPQ-UHFFFAOYSA-N

Canonic Smiles

SCC(S)C

Isomeric Smiles

CC(S)CS

Calculated Properties

JChem

Acid pKa

9.744906

H Acceptors

0

H Donor

2

LogD (pH = 5.5)

1.3729726

LogD (pH = 7.4)

1.371177

Log P

1.3729956

Molar Refractivity

31.3098

Polarizability

12.370574

Polar Surface Area

0.0

Rotatable Bonds

1

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