Ticlatone

C₇H₄ClNOS — CID 6258

About Ticlatone

Ticlatone (PubChem CID 6258) has the molecular formula C₇H₄ClNOS and a molecular weight of 185.64 g/mol. Its IUPAC name is 6-chloro-1,2-benzothiazol-3-one.

Molecular Properties

• Compound Name: Ticlatone
• PubChem CID: 6258
• Molecular Formula: C₇H₄ClNOS
• Molecular Weight: 185.64 g/mol
• Exact Mass: 184.97
• IUPAC Name: 6-chloro-1,2-benzothiazol-3-one
• SMILES: O=c1[nH]sc2cc(Cl)ccc12
• InChI: InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)
• InChIKey: POPOYOKQQAEISW-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 32.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	185.64
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Ticlatone?

The IUPAC name of Ticlatone (CID 6258) is 6-chloro-1,2-benzothiazol-3-one.

What is the SMILES notation for Ticlatone?

The canonical SMILES for Ticlatone is O=c1[nH]sc2cc(Cl)ccc12.

What is the InChIKey of Ticlatone?

The InChIKey is POPOYOKQQAEISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10).

What are the key properties of Ticlatone?

Ticlatone has a molecular weight of 185.64 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ticlatone is sourced from PubChem (CID 6258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6258 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4734 — approved-drug record (CC BY-SA 4.0)

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