2-iodoethanethioyl fluoride

C2H2FIS — CID 57323560

IUPAC2-iodoethanethioyl fluoride
SMILESFC(=S)CI
InChIInChI=1S/C2H2FIS/c3-2(5)1-4/h1H2
InChIKeyKPZQFUISCQGXOO-UHFFFAOYSA-N
MW204.01 g/mol
LogP1.72
Rot. Bonds1

About 2-iodoethanethioyl fluoride

2-iodoethanethioyl fluoride (PubChem CID 57323560) has the molecular formula C2H2FIS and a molecular weight of 204.01 g/mol. Its IUPAC name is 2-iodoethanethioyl fluoride.

Molecular Properties

Compound Name2-iodoethanethioyl fluoride
PubChem CID57323560
Molecular FormulaC2H2FIS
Molecular Weight204.01 g/mol
Exact Mass203.89
IUPAC Name2-iodoethanethioyl fluoride
SMILESFC(=S)CI
InChIInChI=1S/C2H2FIS/c3-2(5)1-4/h1H2
InChIKeyKPZQFUISCQGXOO-UHFFFAOYSA-N
XLogP1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.01
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodoethanethioyl fluoride?
The IUPAC name of 2-iodoethanethioyl fluoride (CID 57323560) is 2-iodoethanethioyl fluoride.
What is the SMILES notation for 2-iodoethanethioyl fluoride?
The canonical SMILES for 2-iodoethanethioyl fluoride is FC(=S)CI.
What is the InChIKey of 2-iodoethanethioyl fluoride?
The InChIKey is KPZQFUISCQGXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2FIS/c3-2(5)1-4/h1H2.
What are the key properties of 2-iodoethanethioyl fluoride?
2-iodoethanethioyl fluoride has a molecular weight of 204.01 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoethanethioyl fluoride is sourced from PubChem (CID 57323560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).