Molecule

ID:85411

General Information

Structure

MolImage

Molecular Formula

C₂H₇IN₂S

Molecular Mass

218.05985

Exact Mass

217.93746723

Charge

0

InChI

InChI=1S/C2H6N2S.HI/c1-5-2(3)4;/h1H3,(H3,3,4);1H

InChIKey

LFXAECSQJSRSTP-UHFFFAOYSA-N

Canonic Smiles

CSC(=[NH2+])N.[I-]

Isomeric Smiles

[NH2+]=C(SC)N.[I-]

Calculated Properties

JChem

H Acceptors

1

H Donor

2

LogD (pH = 5.5)

-2.0011563

LogD (pH = 7.4)

-1.9397736

Log P

0.4134605

Molar Refractivity

35.7793

Polarizability

9.667943

Polar Surface Area

51.61

Rotatable Bonds

1

Lipinski's Rule of Five

true

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

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References

Bioactivity