Oxadithiole;1,2-oxazole;1,3-oxazole

C₈H₈N₂O₃S₂ — CID 161182717

About Oxadithiole;1,2-oxazole;1,3-oxazole

Oxadithiole;1,2-oxazole;1,3-oxazole (PubChem CID 161182717) has the molecular formula C₈H₈N₂O₃S₂ and a molecular weight of 244.30 g/mol. Its IUPAC name is oxadithiole;1,2-oxazole;1,3-oxazole.

Molecular Properties

• Compound Name: Oxadithiole;1,2-oxazole;1,3-oxazole
• PubChem CID: 161182717
• Molecular Formula: C₈H₈N₂O₃S₂
• Molecular Weight: 244.30 g/mol
• Exact Mass: 244.00
• IUPAC Name: oxadithiole;1,2-oxazole;1,3-oxazole
• SMILES: C1=CSSO1.c1cnoc1.c1cocn1
• InChI: InChI=1S/2C3H3NO.C2H2OS2/c1-2-5-3-4-1;2*1-2-4-5-3-1/h2*1-3H;1-2H
• InChIKey: USRIHFVUZKTMRV-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 61.29 Ų
• H-Bond Acceptors: 7
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.30
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Oxadithiole;1,2-oxazole;1,3-oxazole?

The IUPAC name of Oxadithiole;1,2-oxazole;1,3-oxazole (CID 161182717) is oxadithiole;1,2-oxazole;1,3-oxazole.

What is the SMILES notation for Oxadithiole;1,2-oxazole;1,3-oxazole?

The canonical SMILES for Oxadithiole;1,2-oxazole;1,3-oxazole is C1=CSSO1.c1cnoc1.c1cocn1.

What is the InChIKey of Oxadithiole;1,2-oxazole;1,3-oxazole?

The InChIKey is USRIHFVUZKTMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.C2H2OS2/c1-2-5-3-4-1;2*1-2-4-5-3-1/h2*1-3H;1-2H.

What are the key properties of Oxadithiole;1,2-oxazole;1,3-oxazole?

Oxadithiole;1,2-oxazole;1,3-oxazole has a molecular weight of 244.30 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Oxadithiole;1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 161182717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161182717 — identifiers, structure, computed properties (public domain)

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