You are looking to 1,3-Butaneditiol
General Information
Pubchem ID: 520119
IUPAC Name: Butane-1,3-dithiol
Synonym/s: 1,3-Dimercaptobutane, ---
Molecular Formula: C4H10S2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 122.3000
Number of Atoms: 16
Rotatable Bonds: 2
Molecular Refractivity (m³ • mol-1 ): 36.090
Physico-chemical Properties
Volume (cm³ • mol-1 ): 474.98
Solvent Accessible Surface Area (Ų): 317.18
Hydrogen Bond Donor: 2
Hydrogen Bond Acceptor: 0
Total Charge: 0
pKa: 9.56
AlogP: 1.48
Polar Surface Area (Å): 0.00
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s
Thiol