You are looking to 1-(METHYLTHIO)ETHANETHIOL
General Information
Pubchem ID: 525462
IUPAC Name: 1-methylsulfanylethanethiol
Synonym/s: 1-Methylthioethanethiol, ---
Molecular Formula: C3H8S2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 108.2300
Number of Atoms: 13
Rotatable Bonds: 1
Molecular Refractivity (m³ • mol-1 ): 31.250
Physico-chemical Properties
Volume (cm³ • mol-1 ): 428.36
Solvent Accessible Surface Area (Ų): 292.84
Hydrogen Bond Donor: 1
Hydrogen Bond Acceptor: 1
Total Charge: 0
pKa: 8.45
AlogP: 1.38
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
Sulfide
Thiol