[(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite

C6H8FNS — CID 144909950

IUPAC[(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite
SMILESC=C/C=C(/CSF)N=C
InChIInChI=1S/C6H8FNS/c1-3-4-6(8-2)5-9-7/h3-4H,1-2,5H2/b6-4-
InChIKeyAIMVQLAFXZTTBO-XQRVVYSFSA-N
MW145.20 g/mol
LogP2.37
Rot. Bonds4

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

[(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite (PubChem CID 144909950) has the molecular formula C6H8FNS and a molecular weight of 145.20 g/mol. Its IUPAC name is [(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite.

Molecular Properties

Compound Name[(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite
PubChem CID144909950
Molecular FormulaC6H8FNS
Molecular Weight145.20 g/mol
Exact Mass145.04
IUPAC Name[(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite
SMILESC=C/C=C(/CSF)N=C
InChIInChI=1S/C6H8FNS/c1-3-4-6(8-2)5-9-7/h3-4H,1-2,5H2/b6-4-
InChIKeyAIMVQLAFXZTTBO-XQRVVYSFSA-N
XLogP2.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol
CID 144963361
(1Z,3Z)-2-(methylideneamino)hexa-1,3,5-triene-1-thiol
CID 155374243

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite?
The IUPAC name of [(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite (CID 144909950) is [(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite.
What is the SMILES notation for [(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite?
The canonical SMILES for [(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite is C=C/C=C(/CSF)N=C.
What is the InChIKey of [(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite?
The InChIKey is AIMVQLAFXZTTBO-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H8FNS/c1-3-4-6(8-2)5-9-7/h3-4H,1-2,5H2/b6-4-.
What are the key properties of [(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite?
[(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite has a molecular weight of 145.20 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite is sourced from PubChem (CID 144909950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).