Acetaldehyde;2-aminoethanethiol

C₄H₁₁NOS — CID 159451967

About Acetaldehyde;2-aminoethanethiol

Acetaldehyde;2-aminoethanethiol (PubChem CID 159451967) has the molecular formula C₄H₁₁NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is acetaldehyde;2-aminoethanethiol.

Molecular Properties

• Compound Name: Acetaldehyde;2-aminoethanethiol
• PubChem CID: 159451967
• Molecular Formula: C₄H₁₁NOS
• Molecular Weight: 121.20 g/mol
• Exact Mass: 121.06
• IUPAC Name: acetaldehyde;2-aminoethanethiol
• SMILES: CC=O.NCCS
• InChI: InChI=1S/C2H7NS.C2H4O/c3-1-2-4;1-2-3/h4H,1-3H2;2H,1H3
• InChIKey: LTMKSKRALXJVLM-UHFFFAOYSA-N
• XLogP: 0.08
• TPSA: 43.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	121.20
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Acetaldehyde;2-aminoethanethiol?

The IUPAC name of Acetaldehyde;2-aminoethanethiol (CID 159451967) is acetaldehyde;2-aminoethanethiol.

What is the SMILES notation for Acetaldehyde;2-aminoethanethiol?

The canonical SMILES for Acetaldehyde;2-aminoethanethiol is CC=O.NCCS.

What is the InChIKey of Acetaldehyde;2-aminoethanethiol?

The InChIKey is LTMKSKRALXJVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS.C2H4O/c3-1-2-4;1-2-3/h4H,1-3H2;2H,1H3.

What are the key properties of Acetaldehyde;2-aminoethanethiol?

Acetaldehyde;2-aminoethanethiol has a molecular weight of 121.20 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Acetaldehyde;2-aminoethanethiol is sourced from PubChem (CID 159451967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159451967 — identifiers, structure, computed properties (public domain)

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