Molecule

ID:84425

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀INS₂
Molecular Mass
275.17407
Exact Mass
274.92993933
Charge
0
InChI
InChI=1S/C5H9NS2.HI/c1-7-5-6-3-2-4-8-5;/h2-4H2,1H3;1H
InChIKey
VQQSRLWMLUXINM-UHFFFAOYSA-N
Canonic Smiles
CSC1=[NH+]CCCS1.[I-]
Isomeric Smiles
[NH+]1=C(SCCC1)SC.[I-]
Calculated Properties
JChem
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.9915777
LogD (pH = 7.4)
2.0709805
Log P
2.072093
Molar Refractivity
52.7421
Polarizability
16.43124
Polar Surface Area
13.97
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
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