2-(fluoroamino)ethanethiol

C2H6FNS — CID 54176224

IUPAC2-(fluoroamino)ethanethiol
SMILESFNCCS
InChIInChI=1S/C2H6FNS/c3-4-1-2-5/h4-5H,1-2H2
InChIKeyOYOCMVJZVYOMNL-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.39
Rot. Bonds2

About 2-(fluoroamino)ethanethiol

2-(fluoroamino)ethanethiol (PubChem CID 54176224) has the molecular formula C2H6FNS and a molecular weight of 95.14 g/mol. Its IUPAC name is 2-(fluoroamino)ethanethiol.

Molecular Properties

Compound Name2-(fluoroamino)ethanethiol
PubChem CID54176224
Molecular FormulaC2H6FNS
Molecular Weight95.14 g/mol
Exact Mass95.02
IUPAC Name2-(fluoroamino)ethanethiol
SMILESFNCCS
InChIInChI=1S/C2H6FNS/c3-4-1-2-5/h4-5H,1-2H2
InChIKeyOYOCMVJZVYOMNL-UHFFFAOYSA-N
XLogP0.39
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoroamino)ethanethiol?
The IUPAC name of 2-(fluoroamino)ethanethiol (CID 54176224) is 2-(fluoroamino)ethanethiol.
What is the SMILES notation for 2-(fluoroamino)ethanethiol?
The canonical SMILES for 2-(fluoroamino)ethanethiol is FNCCS.
What is the InChIKey of 2-(fluoroamino)ethanethiol?
The InChIKey is OYOCMVJZVYOMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6FNS/c3-4-1-2-5/h4-5H,1-2H2.
What are the key properties of 2-(fluoroamino)ethanethiol?
2-(fluoroamino)ethanethiol has a molecular weight of 95.14 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoroamino)ethanethiol is sourced from PubChem (CID 54176224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).