You are looking to 1-Pentanethiol
General Information
Pubchem ID: 8067
IUPAC Name: Pentane-1-thiol
Synonym/s: Pentyl mercaptan, n-Amyl mercaptan
Molecular Formula: C5H12S
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 104.2200
Number of Atoms: 18
Rotatable Bonds: 3
Molecular Refractivity (m³ • mol-1 ): 32.860
Physico-chemical Properties
Volume (cm³ • mol-1 ): 490.75
Solvent Accessible Surface Area (Ų): 329.26
Hydrogen Bond Donor: 1
Hydrogen Bond Acceptor: 0
Total Charge: 0
pKa: 9.80
AlogP: 2.40
Polar Surface Area (Å): 0.00
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Unsatisfied
Functional Group/s
Thiol