Molecule

ID:53304

General Information
Structure
MolImage
Molecular Formula
C₅H₉NS₂
Molecular Mass
147.26166
Exact Mass
147.01764129
Charge
0
InChI
InChI=1S/C5H9NS2/c1-7-5-4-8-3-2-6-5/h2-4H2,1H3
InChIKey
STAFPBSYZHFMOB-UHFFFAOYSA-N
Canonic Smiles
CSC1=NCCSC1
Isomeric Smiles
C1CN=C(CS1)SC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8141673
LogD (pH = 7.4)
1.0909147
Log P
1.0958797
Molar Refractivity
41.3767
Polarizability
16.085274
Polar Surface Area
12.36
Rotatable Bonds
1
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
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