4-(4-Sulfinobutyldisulfanyl)butane-1-sulfinic acid

C8H18O4S4 — CID 36988

About 4-(4-Sulfinobutyldisulfanyl)butane-1-sulfinic acid

4-(4-Sulfinobutyldisulfanyl)butane-1-sulfinic acid (PubChem CID 36988) has the molecular formula C8H18O4S4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 4-(4-sulfinobutyldisulfanyl)butane-1-sulfinic acid.

Molecular Properties

• Compound Name: 4-(4-Sulfinobutyldisulfanyl)butane-1-sulfinic acid
• PubChem CID: 36988
• Molecular Formula: C8H18O4S4
• Molecular Weight: 306.50 g/mol
• Exact Mass: 306.01
• IUPAC Name: 4-(4-sulfinobutyldisulfanyl)butane-1-sulfinic acid
• SMILES: C(CCS(=O)O)CSSCCCCS(=O)O
• InChIKey: GELPNJSUDVLVKD-UHFFFAOYSA-N
• XLogP: 0.70
• TPSA: 164.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 16
• Complexity: 190

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.50
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}