Chlorprothixene

C₁₈H₁₈ClNS — CID 667467

About Chlorprothixene

Chlorprothixene (PubChem CID 667467) has the molecular formula C₁₈H₁₈ClNS and a molecular weight of 315.87 g/mol. Its IUPAC name is (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: Chlorprothixene
• PubChem CID: 667467
• Molecular Formula: C₁₈H₁₈ClNS
• Molecular Weight: 315.87 g/mol
• Exact Mass: 315.08
• IUPAC Name: (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
• SMILES: CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21
• InChI: InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
• InChIKey: WSPOMRSOLSGNFJ-AUWJEWJLSA-N
• XLogP: 5.19
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	315.87
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Chlorprothixene?

The IUPAC name of Chlorprothixene (CID 667467) is (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine.

What is the SMILES notation for Chlorprothixene?

The canonical SMILES for Chlorprothixene is CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21.

What is the InChIKey of Chlorprothixene?

The InChIKey is WSPOMRSOLSGNFJ-AUWJEWJLSA-N. The full InChI is InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-.

What are the key properties of Chlorprothixene?

Chlorprothixene has a molecular weight of 315.87 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Chlorprothixene is sourced from PubChem (CID 667467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 667467 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 623 — approved-drug record (CC BY-SA 4.0)

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