Thiophenoazepinone

C₈H₇NOS — CID 138753416

About Thiophenoazepinone

Thiophenoazepinone (PubChem CID 138753416) has the molecular formula C₈H₇NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 2H-thieno[3,2-b]azepine 1-oxide.

Molecular Properties

• Compound Name: Thiophenoazepinone
• PubChem CID: 138753416
• Molecular Formula: C₈H₇NOS
• Molecular Weight: 165.22 g/mol
• Exact Mass: 165.02
• IUPAC Name: 2H-thieno[3,2-b]azepine 1-oxide
• SMILES: O=S1CC=C2N=CC=CC=C21
• InChI: InChI=1S/C8H7NOS/c10-11-6-4-7-8(11)3-1-2-5-9-7/h1-5H,6H2
• InChIKey: HSQADEDNMGEYET-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 29.43 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.22
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Thiophenoazepinone?

The IUPAC name of Thiophenoazepinone (CID 138753416) is 2H-thieno[3,2-b]azepine 1-oxide.

What is the SMILES notation for Thiophenoazepinone?

The canonical SMILES for Thiophenoazepinone is O=S1CC=C2N=CC=CC=C21.

What is the InChIKey of Thiophenoazepinone?

The InChIKey is HSQADEDNMGEYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c10-11-6-4-7-8(11)3-1-2-5-9-7/h1-5H,6H2.

What are the key properties of Thiophenoazepinone?

Thiophenoazepinone has a molecular weight of 165.22 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Thiophenoazepinone is sourced from PubChem (CID 138753416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 138753416 — identifiers, structure, computed properties (public domain)

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