Molecule

ID:42516

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁IN₂S
Molecular Mass
258.12371
Exact Mass
257.96876736
Charge
0
InChI
InChI=1S/C5H10N2S.HI/c1-8-5-6-3-2-4-7-5;/h2-4H2,1H3,(H,6,7);1H
InChIKey
RUXGXTKDBJMOAM-UHFFFAOYSA-N
Canonic Smiles
CSC1=NCCCN1.I
Isomeric Smiles
C1(=NCCCN1)SC.I
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5979846
LogD (pH = 7.4)
-1.0522342
Log P
0.80318075
Molar Refractivity
37.1321
Polarizability
14.159677
Polar Surface Area
24.39
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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