[(2E)-penta-2,4-dienyl] thiohypofluorite

C5H7FS — CID 155141136

IUPAC[(2E)-penta-2,4-dienyl] thiohypofluorite
SMILESC=C/C=C/CSF
InChIInChI=1S/C5H7FS/c1-2-3-4-5-7-6/h2-4H,1,5H2/b4-3+
InChIKeyPKGKEBCEXCKCNF-ONEGZZNKSA-N
MW118.18 g/mol
LogP2.35
Rot. Bonds3

About [(2E)-penta-2,4-dienyl] thiohypofluorite

[(2E)-penta-2,4-dienyl] thiohypofluorite (PubChem CID 155141136) has the molecular formula C5H7FS and a molecular weight of 118.18 g/mol. Its IUPAC name is [(2E)-penta-2,4-dienyl] thiohypofluorite.

Molecular Properties

Compound Name[(2E)-penta-2,4-dienyl] thiohypofluorite
PubChem CID155141136
Molecular FormulaC5H7FS
Molecular Weight118.18 g/mol
Exact Mass118.03
IUPAC Name[(2E)-penta-2,4-dienyl] thiohypofluorite
SMILESC=C/C=C/CSF
InChIInChI=1S/C5H7FS/c1-2-3-4-5-7-6/h2-4H,1,5H2/b4-3+
InChIKeyPKGKEBCEXCKCNF-ONEGZZNKSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-penta-2,4-dienyl] thiohypofluorite?
The IUPAC name of [(2E)-penta-2,4-dienyl] thiohypofluorite (CID 155141136) is [(2E)-penta-2,4-dienyl] thiohypofluorite.
What is the SMILES notation for [(2E)-penta-2,4-dienyl] thiohypofluorite?
The canonical SMILES for [(2E)-penta-2,4-dienyl] thiohypofluorite is C=C/C=C/CSF.
What is the InChIKey of [(2E)-penta-2,4-dienyl] thiohypofluorite?
The InChIKey is PKGKEBCEXCKCNF-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H7FS/c1-2-3-4-5-7-6/h2-4H,1,5H2/b4-3+.
What are the key properties of [(2E)-penta-2,4-dienyl] thiohypofluorite?
[(2E)-penta-2,4-dienyl] thiohypofluorite has a molecular weight of 118.18 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-penta-2,4-dienyl] thiohypofluorite is sourced from PubChem (CID 155141136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).