sulfanylmethyl hypofluorite

CH3FOS — CID 173496038

IUPACsulfanylmethyl hypofluorite
SMILESFOCS
InChIInChI=1S/CH3FOS/c2-3-1-4/h4H,1H2
InChIKeyZSADGBVGEWNIEB-UHFFFAOYSA-N
MW82.10 g/mol
LogP0.77
Rot. Bonds1

About sulfanylmethyl hypofluorite

sulfanylmethyl hypofluorite (PubChem CID 173496038) has the molecular formula CH3FOS and a molecular weight of 82.10 g/mol. Its IUPAC name is sulfanylmethyl hypofluorite.

Molecular Properties

Compound Namesulfanylmethyl hypofluorite
PubChem CID173496038
Molecular FormulaCH3FOS
Molecular Weight82.10 g/mol
Exact Mass81.99
IUPAC Namesulfanylmethyl hypofluorite
SMILESFOCS
InChIInChI=1S/CH3FOS/c2-3-1-4/h4H,1H2
InChIKeyZSADGBVGEWNIEB-UHFFFAOYSA-N
XLogP0.77
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.10
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfanylmethyl hypofluorite?
The IUPAC name of sulfanylmethyl hypofluorite (CID 173496038) is sulfanylmethyl hypofluorite.
What is the SMILES notation for sulfanylmethyl hypofluorite?
The canonical SMILES for sulfanylmethyl hypofluorite is FOCS.
What is the InChIKey of sulfanylmethyl hypofluorite?
The InChIKey is ZSADGBVGEWNIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3FOS/c2-3-1-4/h4H,1H2.
What are the key properties of sulfanylmethyl hypofluorite?
sulfanylmethyl hypofluorite has a molecular weight of 82.10 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanylmethyl hypofluorite is sourced from PubChem (CID 173496038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).