2-sulfanylethyl thiohypofluorite

C2H5FS2 — CID 59067995

IUPAC2-sulfanylethyl thiohypofluorite
SMILESFSCCS
InChIInChI=1S/C2H5FS2/c3-5-2-1-4/h4H,1-2H2
InChIKeyHQPLWAYQCSGRHV-UHFFFAOYSA-N
MW112.19 g/mol
LogP1.53
Rot. Bonds2

About 2-sulfanylethyl thiohypofluorite

2-sulfanylethyl thiohypofluorite (PubChem CID 59067995) has the molecular formula C2H5FS2 and a molecular weight of 112.19 g/mol. Its IUPAC name is 2-sulfanylethyl thiohypofluorite.

Molecular Properties

Compound Name2-sulfanylethyl thiohypofluorite
PubChem CID59067995
Molecular FormulaC2H5FS2
Molecular Weight112.19 g/mol
Exact Mass111.98
IUPAC Name2-sulfanylethyl thiohypofluorite
SMILESFSCCS
InChIInChI=1S/C2H5FS2/c3-5-2-1-4/h4H,1-2H2
InChIKeyHQPLWAYQCSGRHV-UHFFFAOYSA-N
XLogP1.53
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-sulfanylethyl thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylethyl thiohypofluorite?
The IUPAC name of 2-sulfanylethyl thiohypofluorite (CID 59067995) is 2-sulfanylethyl thiohypofluorite.
What is the SMILES notation for 2-sulfanylethyl thiohypofluorite?
The canonical SMILES for 2-sulfanylethyl thiohypofluorite is FSCCS.
What is the InChIKey of 2-sulfanylethyl thiohypofluorite?
The InChIKey is HQPLWAYQCSGRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FS2/c3-5-2-1-4/h4H,1-2H2.
What are the key properties of 2-sulfanylethyl thiohypofluorite?
2-sulfanylethyl thiohypofluorite has a molecular weight of 112.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylethyl thiohypofluorite is sourced from PubChem (CID 59067995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).