7-Chlorodibenzothiophen-2-amine

C₁₂H₈ClNS — CID 21439881

About 7-Chlorodibenzothiophen-2-amine

7-Chlorodibenzothiophen-2-amine (PubChem CID 21439881) has the molecular formula C₁₂H₈ClNS and a molecular weight of 233.72 g/mol. Its IUPAC name is 7-chlorodibenzothiophen-2-amine.

Molecular Properties

• Compound Name: 7-Chlorodibenzothiophen-2-amine
• PubChem CID: 21439881
• Molecular Formula: C₁₂H₈ClNS
• Molecular Weight: 233.72 g/mol
• Exact Mass: 233.01
• IUPAC Name: 7-chlorodibenzothiophen-2-amine
• SMILES: Nc1ccc2sc3cc(Cl)ccc3c2c1
• InChI: InChI=1S/C12H8ClNS/c13-7-1-3-9-10-6-8(14)2-4-11(10)15-12(9)5-7/h1-6H,14H2
• InChIKey: MFSSMEHNALBIPX-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.72
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-Chlorodibenzothiophen-2-amine?

The IUPAC name of 7-Chlorodibenzothiophen-2-amine (CID 21439881) is 7-chlorodibenzothiophen-2-amine.

What is the SMILES notation for 7-Chlorodibenzothiophen-2-amine?

The canonical SMILES for 7-Chlorodibenzothiophen-2-amine is Nc1ccc2sc3cc(Cl)ccc3c2c1.

What is the InChIKey of 7-Chlorodibenzothiophen-2-amine?

The InChIKey is MFSSMEHNALBIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNS/c13-7-1-3-9-10-6-8(14)2-4-11(10)15-12(9)5-7/h1-6H,14H2.

What are the key properties of 7-Chlorodibenzothiophen-2-amine?

7-Chlorodibenzothiophen-2-amine has a molecular weight of 233.72 g/mol, XLogP of 4.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-Chlorodibenzothiophen-2-amine is sourced from PubChem (CID 21439881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 21439881 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.