Molecule

ID:108607

General Information
Structure
MolImage
Molecular Formula
C₇H₈S₂
Molecular Mass
156.26842
Exact Mass
156.00674226
Charge
0
InChI
InChI=1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
InChIKey
NIAAGQAEVGMHPM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)S)S
Isomeric Smiles
Cc1ccc(S)c(S)c1
Calculated Properties
JChem
Acid pKa
6.0628033
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
2.5716076
LogD (pH = 7.4)
1.350603
Log P
2.6730816
Molar Refractivity
47.1188
Polarizability
18.19719
Polar Surface Area
0.0
Rotatable Bonds
0
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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