(1-imino-3-methylbut-2-en-2-yl) thiohypofluorite

C₅H₈FNS — CID 145499684

About (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite

(1-imino-3-methylbut-2-en-2-yl) thiohypofluorite (PubChem CID 145499684) has the molecular formula C₅H₈FNS and a molecular weight of 133.19 g/mol. Its IUPAC name is (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite.

Molecular Properties

• Compound Name: (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite
• PubChem CID: 145499684
• Molecular Formula: C₅H₈FNS
• Molecular Weight: 133.19 g/mol
• Exact Mass: 133.04
• IUPAC Name: (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite
• SMILES: [H]/N=C/C(SF)=C(C)C
• InChI: InChI=1S/C5H8FNS/c1-4(2)5(3-7)8-6/h3,7H,1-2H3/b7-3+
• InChIKey: QFBVDMCCDSGGOE-XVNBXDOJSA-N
• XLogP: 2.55
• TPSA: 23.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	133.19
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite?

The IUPAC name of (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite (CID 145499684) is (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite.

What is the SMILES notation for (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite?

The canonical SMILES for (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite is [H]/N=C/C(SF)=C(C)C.

What is the InChIKey of (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite?

The InChIKey is QFBVDMCCDSGGOE-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H8FNS/c1-4(2)5(3-7)8-6/h3,7H,1-2H3/b7-3+.

What are the key properties of (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite?

(1-imino-3-methylbut-2-en-2-yl) thiohypofluorite has a molecular weight of 133.19 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite is sourced from PubChem (CID 145499684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 145499684 — identifiers, structure, computed properties (public domain)

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