Molecule

ID:1735

General Information

Structure

MolImage

Molecular Formula

C₂H₅NS

Molecular Mass

75.1328

Exact Mass

75.01427017

Charge

0

InChI

InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1+

InChIKey

JLZMZFJVTNYDOT-OWOJBTEDSA-N

Canonic Smiles

N/C=C/S

Isomeric Smiles

N/C=C/S

Calculated Properties

JChem

Acid pKa

9.687692

H Acceptors

1

H Donor

2

LogD (pH = 5.5)

-0.6877185

LogD (pH = 7.4)

-0.28429705

Log P

-0.27438754

Molar Refractivity

21.8091

Polarizability

8.375259

Polar Surface Area

26.02

Rotatable Bonds

0

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

0.26

LOG S

-0.63

Solubility (Water)

1.77e+01 g/l

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity