ethylsulfanyl thiohypofluorite

C2H5FS2 — CID 121429606

IUPACethylsulfanyl thiohypofluorite
SMILESCCSSF
InChIInChI=1S/C2H5FS2/c1-2-4-5-3/h2H2,1H3
InChIKeyWBTOGIQRBHRCAS-UHFFFAOYSA-N
MW112.19 g/mol
LogP2.27
Rot. Bonds2

About ethylsulfanyl thiohypofluorite

ethylsulfanyl thiohypofluorite (PubChem CID 121429606) has the molecular formula C2H5FS2 and a molecular weight of 112.19 g/mol. Its IUPAC name is ethylsulfanyl thiohypofluorite.

Molecular Properties

Compound Nameethylsulfanyl thiohypofluorite
PubChem CID121429606
Molecular FormulaC2H5FS2
Molecular Weight112.19 g/mol
Exact Mass111.98
IUPAC Nameethylsulfanyl thiohypofluorite
SMILESCCSSF
InChIInChI=1S/C2H5FS2/c1-2-4-5-3/h2H2,1H3
InChIKeyWBTOGIQRBHRCAS-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.19
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanyl thiohypofluorite?
The IUPAC name of ethylsulfanyl thiohypofluorite (CID 121429606) is ethylsulfanyl thiohypofluorite.
What is the SMILES notation for ethylsulfanyl thiohypofluorite?
The canonical SMILES for ethylsulfanyl thiohypofluorite is CCSSF.
What is the InChIKey of ethylsulfanyl thiohypofluorite?
The InChIKey is WBTOGIQRBHRCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FS2/c1-2-4-5-3/h2H2,1H3.
What are the key properties of ethylsulfanyl thiohypofluorite?
ethylsulfanyl thiohypofluorite has a molecular weight of 112.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanyl thiohypofluorite is sourced from PubChem (CID 121429606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).