1-fluoro-3-sulfamoylsulfanylprop-1-ene

C3H6FNO2S2 — CID 174944681

IUPAC1-fluoro-3-sulfamoylsulfanylprop-1-ene
SMILESNS(=O)(=O)SCC=CF
InChIInChI=1S/C3H6FNO2S2/c4-2-1-3-8-9(5,6)7/h1-2H,3H2,(H2,5,6,7)
InChIKeyPLTCOEOTHGDHHV-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.41
Rot. Bonds3

About 1-fluoro-3-sulfamoylsulfanylprop-1-ene

1-fluoro-3-sulfamoylsulfanylprop-1-ene (PubChem CID 174944681) has the molecular formula C3H6FNO2S2 and a molecular weight of 171.22 g/mol. Its IUPAC name is 1-fluoro-3-sulfamoylsulfanylprop-1-ene.

Molecular Properties

Compound Name1-fluoro-3-sulfamoylsulfanylprop-1-ene
PubChem CID174944681
Molecular FormulaC3H6FNO2S2
Molecular Weight171.22 g/mol
Exact Mass170.98
IUPAC Name1-fluoro-3-sulfamoylsulfanylprop-1-ene
SMILESNS(=O)(=O)SCC=CF
InChIInChI=1S/C3H6FNO2S2/c4-2-1-3-8-9(5,6)7/h1-2H,3H2,(H2,5,6,7)
InChIKeyPLTCOEOTHGDHHV-UHFFFAOYSA-N
XLogP0.41
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-sulfamoylsulfanylprop-1-ene?
The IUPAC name of 1-fluoro-3-sulfamoylsulfanylprop-1-ene (CID 174944681) is 1-fluoro-3-sulfamoylsulfanylprop-1-ene.
What is the SMILES notation for 1-fluoro-3-sulfamoylsulfanylprop-1-ene?
The canonical SMILES for 1-fluoro-3-sulfamoylsulfanylprop-1-ene is NS(=O)(=O)SCC=CF.
What is the InChIKey of 1-fluoro-3-sulfamoylsulfanylprop-1-ene?
The InChIKey is PLTCOEOTHGDHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO2S2/c4-2-1-3-8-9(5,6)7/h1-2H,3H2,(H2,5,6,7).
What are the key properties of 1-fluoro-3-sulfamoylsulfanylprop-1-ene?
1-fluoro-3-sulfamoylsulfanylprop-1-ene has a molecular weight of 171.22 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-sulfamoylsulfanylprop-1-ene is sourced from PubChem (CID 174944681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).