CID 156800406

C₁₁H₁₉FNSSn — CID 156800406

About CID 156800406

CID 156800406 (PubChem CID 156800406) has the molecular formula C₁₁H₁₉FNSSn and a molecular weight of 335.06 g/mol.

Molecular Properties

• Compound Name: CID 156800406
• PubChem CID: 156800406
• Molecular Formula: C₁₁H₁₉FNSSn
• Molecular Weight: 335.06 g/mol
• Exact Mass: 336.02
• IUPAC Name: —
• SMILES: C=S.CC.C[Sn].Cc1cc(N)cc(F)c1
• InChI: InChI=1S/C7H8FN.C2H6.CH2S.CH3.Sn/c1-5-2-6(8)4-7(9)3-5;2*1-2;;/h2-4H,9H2,1H3;1-2H3;1H2;1H3
• InChIKey: NAASRCABDUSKQG-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.06
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 156800406?

The IUPAC name of CID 156800406 (CID 156800406) is not available.

What is the SMILES notation for CID 156800406?

The canonical SMILES for CID 156800406 is C=S.CC.C[Sn].Cc1cc(N)cc(F)c1.

What is the InChIKey of CID 156800406?

The InChIKey is NAASRCABDUSKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN.C2H6.CH2S.CH3.Sn/c1-5-2-6(8)4-7(9)3-5;2*1-2;;/h2-4H,9H2,1H3;1-2H3;1H2;1H3;.

What are the key properties of CID 156800406?

CID 156800406 has a molecular weight of 335.06 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 156800406 is sourced from PubChem (CID 156800406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156800406 — identifiers, structure, computed properties (public domain)

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