Thiothixene (USAN:USP)

C23H29N3O2S2 — CID 5454

About Thiothixene (USAN:USP)

Thiothixene (USAN:USP) (PubChem CID 5454) has the molecular formula C23H29N3O2S2 and a molecular weight of 443.60 g/mol. Its IUPAC name is N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide.

Molecular Properties

• Compound Name: Thiothixene (USAN:USP)
• PubChem CID: 5454
• Molecular Formula: C23H29N3O2S2
• Molecular Weight: 443.60 g/mol
• Exact Mass: 443.17
• IUPAC Name: N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
• SMILES: CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
• InChIKey: GFBKORZTTCHDGY-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 77.50 Ų
• H-Bond Donors: 0
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: 710

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.60
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}