Oxolane;thiourea

C₅H₁₂N₂OS — CID 158974032

About Oxolane;thiourea

Oxolane;thiourea (PubChem CID 158974032) has the molecular formula C₅H₁₂N₂OS and a molecular weight of 148.23 g/mol. Its IUPAC name is oxolane;thiourea.

Molecular Properties

• Compound Name: Oxolane;thiourea
• PubChem CID: 158974032
• Molecular Formula: C₅H₁₂N₂OS
• Molecular Weight: 148.23 g/mol
• Exact Mass: 148.07
• IUPAC Name: oxolane;thiourea
• SMILES: C1CCOC1.NC(N)=S
• InChI: InChI=1S/C4H8O.CH4N2S/c1-2-4-5-3-1;2-1(3)4/h1-4H2;(H4,2,3,4)
• InChIKey: JODSTFDKWFTHCS-UHFFFAOYSA-N
• XLogP: -0.01
• TPSA: 61.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	148.23
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Oxolane;thiourea?

The IUPAC name of Oxolane;thiourea (CID 158974032) is oxolane;thiourea.

What is the SMILES notation for Oxolane;thiourea?

The canonical SMILES for Oxolane;thiourea is C1CCOC1.NC(N)=S.

What is the InChIKey of Oxolane;thiourea?

The InChIKey is JODSTFDKWFTHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CH4N2S/c1-2-4-5-3-1;2-1(3)4/h1-4H2;(H4,2,3,4).

What are the key properties of Oxolane;thiourea?

Oxolane;thiourea has a molecular weight of 148.23 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Oxolane;thiourea is sourced from PubChem (CID 158974032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158974032 — identifiers, structure, computed properties (public domain)

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