Molecule

ID:57924

General Information

Structure

MolImage

Molecular Formula

C₃H₈N₂S

Molecular Mass

104.17402

Exact Mass

104.04081927

Charge

0

InChI

InChI=1S/C3H8N2S/c1-5(2)3(4)6/h1-2H3,(H2,4,6)

InChIKey

ZQGWBPQBZHMUFG-UHFFFAOYSA-N

Canonic Smiles

CN(C(=S)N)C

Isomeric Smiles

C(=S)(N(C)C)N

Calculated Properties

JChem

Acid pKa

14.917346

H Acceptors

0

H Donor

1

LogD (pH = 5.5)

-0.0266122

LogD (pH = 7.4)

-0.026612189

Log P

-0.026612146

Molar Refractivity

30.9269

Polarizability

11.966029

Polar Surface Area

29.26

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity