Molecule

ID:83000

General Information
Structure
Molecular Formula
C₄H₁₂P₂S₂
Molecular Mass
186.215602
Exact Mass
185.98556564
Charge
0
InChI
InChI=1S/C4H12P2S2/c1-5(8-4)6(2,3)7/h1-4H3
InChIKey
YSRHUVJIFFEQEF-UHFFFAOYSA-N
Canonic Smiles
CSP(P(=S)(C)C)C
Isomeric Smiles
P(=S)(P(SC)C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.8035
LogD (pH = 7.4)
0.8035
Log P
0.8035
Molar Refractivity
51.2445
Polarizability
20.524763
Polar Surface Area
0.0
Rotatable Bonds
2
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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