4,4'-Thiobis(2-tert-butyl-6-methylphenol)

C22H30O2S — CID 7306

About 4,4'-Thiobis(2-tert-butyl-6-methylphenol)

4,4'-Thiobis(2-tert-butyl-6-methylphenol) (PubChem CID 7306) has the molecular formula C22H30O2S and a molecular weight of 358.50 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl-6-methylphenol.

Molecular Properties

• Compound Name: 4,4'-Thiobis(2-tert-butyl-6-methylphenol)
• PubChem CID: 7306
• Molecular Formula: C22H30O2S
• Molecular Weight: 358.50 g/mol
• Exact Mass: 358.20
• IUPAC Name: 2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl-6-methylphenol
• SMILES: CC1=CC(=CC(=C1O)C(C)(C)C)SC2=CC(=C(C(=C2)C)O)C(C)(C)C
• InChIKey: YFHKLSPMRRWLKI-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 65.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: 396

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	358.50
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3