Noxytiolin

C₃H₈N₂OS — CID 5251503

About Noxytiolin

Noxytiolin (PubChem CID 5251503) has the molecular formula C₃H₈N₂OS and a molecular weight of 120.18 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-methylthiourea.

Molecular Properties

• Compound Name: Noxytiolin
• PubChem CID: 5251503
• Molecular Formula: C₃H₈N₂OS
• Molecular Weight: 120.18 g/mol
• Exact Mass: 120.04
• IUPAC Name: 1-(hydroxymethyl)-3-methylthiourea
• SMILES: CNC(=S)NCO
• InChI: InChI=1S/C3H8N2OS/c1-4-3(7)5-2-6/h6H,2H2,1H3,(H2,4,5,7)
• InChIKey: JLMHZVYLAQPMOZ-UHFFFAOYSA-N
• XLogP: -0.97
• TPSA: 44.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	120.18
LogP ≤ 5	-0.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Noxytiolin?

The IUPAC name of Noxytiolin (CID 5251503) is 1-(hydroxymethyl)-3-methylthiourea.

What is the SMILES notation for Noxytiolin?

The canonical SMILES for Noxytiolin is CNC(=S)NCO.

What is the InChIKey of Noxytiolin?

The InChIKey is JLMHZVYLAQPMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OS/c1-4-3(7)5-2-6/h6H,2H2,1H3,(H2,4,5,7).

What are the key properties of Noxytiolin?

Noxytiolin has a molecular weight of 120.18 g/mol, XLogP of -0.97, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Noxytiolin is sourced from PubChem (CID 5251503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5251503 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3391 — approved-drug record (CC BY-SA 4.0)

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