Molecule

ID:85304

General Information
Structure
MolImage
Molecular Formula
C₅H₉NS₂
Molecular Mass
147.26166
Exact Mass
147.01764129
Charge
0
InChI
InChI=1S/C5H9NS2/c1-7-5-6-3-2-4-8-5/h2-4H2,1H3
InChIKey
FLLBHYISJYFGJV-UHFFFAOYSA-N
Canonic Smiles
CSC1=NCCCS1
Isomeric Smiles
S1CCCN=C1SC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9915777
LogD (pH = 7.4)
2.0709805
Log P
2.072093
Molar Refractivity
41.5272
Polarizability
16.116127
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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