Molecule

ID:79576

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁IN₂S
Molecular Mass
258.12371
Exact Mass
257.96876736
Charge
0
InChI
InChI=1S/C5H10N2S.HI/c1-3-4-7-5(6)8-2;/h3H,1,4H2,2H3,(H2,6,7);1H
InChIKey
GSXDZEGUVAJORG-UHFFFAOYSA-N
Canonic Smiles
CSC(=N)NCC=C.I
Isomeric Smiles
N=C(NCC=C)SC.I
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.9897636
LogD (pH = 7.4)
-0.78407395
Log P
1.4223198
Molar Refractivity
48.9166
Polarizability
14.64547
Polar Surface Area
35.88
Rotatable Bonds
3
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
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