You are looking to 1-Phenylethanethiol
General Information
Pubchem ID: 141850
IUPAC Name: 1-phenylethanethiol
Synonym/s: 1-phenethyl mercaptan, ---
Molecular Formula: C8H10S
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 138.2300
Number of Atoms: 19
Rotatable Bonds: 1
Molecular Refractivity (m³ • mol-1 ): 43.420
Physico-chemical Properties
Volume (cm³ • mol-1 ): 543.44
Solvent Accessible Surface Area (Ų): 349.17
Hydrogen Bond Donor: 1
Hydrogen Bond Acceptor: 0
Total Charge: 0
pKa: None
AlogP: 2.42
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