S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine

C₁₂H₁₂N₂S — CID 144505126

About S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine

S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine (PubChem CID 144505126) has the molecular formula C₁₂H₁₂N₂S and a molecular weight of 216.31 g/mol. Its IUPAC name is S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine.

Molecular Properties

• Compound Name: S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine
• PubChem CID: 144505126
• Molecular Formula: C₁₂H₁₂N₂S
• Molecular Weight: 216.31 g/mol
• Exact Mass: 216.07
• IUPAC Name: S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine
• SMILES: Cc1ncccc1-c1ccc(SN)cc1
• InChI: InChI=1S/C12H12N2S/c1-9-12(3-2-8-14-9)10-4-6-11(15-13)7-5-10/h2-8H,13H2,1H3
• InChIKey: SOLGGLTXRSVEBW-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 38.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.31
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine?

The IUPAC name of S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine (CID 144505126) is S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine.

What is the SMILES notation for S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine?

The canonical SMILES for S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine is Cc1ncccc1-c1ccc(SN)cc1.

What is the InChIKey of S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine?

The InChIKey is SOLGGLTXRSVEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-9-12(3-2-8-14-9)10-4-6-11(15-13)7-5-10/h2-8H,13H2,1H3.

What are the key properties of S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine?

S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine has a molecular weight of 216.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine is sourced from PubChem (CID 144505126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144505126 — identifiers, structure, computed properties (public domain)

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