Molecule

ID:125693

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂S₂
Molecular Mass
148.28948
Exact Mass
148.03804238
Charge
0
InChI
InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3
InChIKey
FCSSPCOFDUKHPV-UHFFFAOYSA-N
Canonic Smiles
CCCSSCC=C
Isomeric Smiles
S(SCCC)CC=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9091873
LogD (pH = 7.4)
2.9091873
Log P
2.9091873
Molar Refractivity
45.5269
Polarizability
17.726002
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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