4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide

C3H6FNO4S2 — CID 59326370

IUPAC4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESO=S1(=O)CCC(F)S(=O)(=O)N1
InChIInChI=1S/C3H6FNO4S2/c4-3-1-2-10(6,7)5-11(3,8)9/h3,5H,1-2H2
InChIKeyWHLOIQZETQCVBW-UHFFFAOYSA-N
MW203.22 g/mol
LogP-1.07
Rot. Bonds

About 4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide

4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide (PubChem CID 59326370) has the molecular formula C3H6FNO4S2 and a molecular weight of 203.22 g/mol. Its IUPAC name is 4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
PubChem CID59326370
Molecular FormulaC3H6FNO4S2
Molecular Weight203.22 g/mol
Exact Mass202.97
IUPAC Name4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESO=S1(=O)CCC(F)S(=O)(=O)N1
InChIInChI=1S/C3H6FNO4S2/c4-3-1-2-10(6,7)5-11(3,8)9/h3,5H,1-2H2
InChIKeyWHLOIQZETQCVBW-UHFFFAOYSA-N
XLogP-1.07
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The IUPAC name of 4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide (CID 59326370) is 4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The canonical SMILES for 4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide is O=S1(=O)CCC(F)S(=O)(=O)N1.
What is the InChIKey of 4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The InChIKey is WHLOIQZETQCVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO4S2/c4-3-1-2-10(6,7)5-11(3,8)9/h3,5H,1-2H2.
What are the key properties of 4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide has a molecular weight of 203.22 g/mol, XLogP of -1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide is sourced from PubChem (CID 59326370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).