Aminooxypropanethiol

C₃H₉NOS — CID 155907410

About Aminooxypropanethiol

Aminooxypropanethiol (PubChem CID 155907410) has the molecular formula C₃H₉NOS and a molecular weight of 107.18 g/mol. Its IUPAC name is O-(1-sulfanylpropyl)hydroxylamine.

Molecular Properties

• Compound Name: Aminooxypropanethiol
• PubChem CID: 155907410
• Molecular Formula: C₃H₉NOS
• Molecular Weight: 107.18 g/mol
• Exact Mass: 107.04
• IUPAC Name: O-(1-sulfanylpropyl)hydroxylamine
• SMILES: CCC(S)ON
• InChI: InChI=1S/C3H9NOS/c1-2-3(6)5-4/h3,6H,2,4H2,1H3
• InChIKey: HKPRTUWHOLLKRW-UHFFFAOYSA-N
• XLogP: 0.54
• TPSA: 35.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	107.18
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Aminooxypropanethiol?

The IUPAC name of Aminooxypropanethiol (CID 155907410) is O-(1-sulfanylpropyl)hydroxylamine.

What is the SMILES notation for Aminooxypropanethiol?

The canonical SMILES for Aminooxypropanethiol is CCC(S)ON.

What is the InChIKey of Aminooxypropanethiol?

The InChIKey is HKPRTUWHOLLKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NOS/c1-2-3(6)5-4/h3,6H,2,4H2,1H3.

What are the key properties of Aminooxypropanethiol?

Aminooxypropanethiol has a molecular weight of 107.18 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Aminooxypropanethiol is sourced from PubChem (CID 155907410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155907410 — identifiers, structure, computed properties (public domain)

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