CID 174002978

H3FN2O6S3 — CID 174002978

IUPAC—
SMILESO=S(O)NS(=O)(=O)NS(=O)(=O)F
InChIInChI=1S/FH3N2O6S3/c1-11(6,7)3-12(8,9)2-10(4)5/h2-3H,(H,4,5)
InChIKeyAOTXLWLCFDHFMN-UHFFFAOYSA-N
MW242.23 g/mol
LogP-2.24
Rot. Bonds4

About CID 174002978

CID 174002978 (PubChem CID 174002978) has the molecular formula H3FN2O6S3 and a molecular weight of 242.23 g/mol.

Molecular Properties

Compound NameCID 174002978
PubChem CID174002978
Molecular FormulaH3FN2O6S3
Molecular Weight242.23 g/mol
Exact Mass241.91
IUPAC Name—
SMILESO=S(O)NS(=O)(=O)NS(=O)(=O)F
InChIInChI=1S/FH3N2O6S3/c1-11(6,7)3-12(8,9)2-10(4)5/h2-3H,(H,4,5)
InChIKeyAOTXLWLCFDHFMN-UHFFFAOYSA-N
XLogP-2.24
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sulfinosulfamoylmethane
CID 22285783
potassium N-fluorosulfonylsulfamoyl fluoride
CID 173005771
fluorosulfonylsulfamic acid
CID 140798090
1,1-difluoro-1-(sulfinosulfamoyl)ethane
CID 89328833
N-(fluorosulfonimidoyl)sulfamoyl fluoride
CID 163907553
2-fluorosulfonylethanesulfinic acid
CID 175141191
CID 175218278
CID 175218278
sulfuric acid;sulfurous acid
CID 172712432
N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine
CID 118659621
1-methyl-4-(sulfinosulfamoyl)benzene
CID 57311517
N-fluorosulfonylsulfamoyl fluoride;morpholine
CID 118659698
lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride
CID 173065496

Frequently Asked Questions

What is the IUPAC name of CID 174002978?
The IUPAC name of CID 174002978 (CID 174002978) is not available.
What is the SMILES notation for CID 174002978?
The canonical SMILES for CID 174002978 is O=S(O)NS(=O)(=O)NS(=O)(=O)F.
What is the InChIKey of CID 174002978?
The InChIKey is AOTXLWLCFDHFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/FH3N2O6S3/c1-11(6,7)3-12(8,9)2-10(4)5/h2-3H,(H,4,5).
What are the key properties of CID 174002978?
CID 174002978 has a molecular weight of 242.23 g/mol, XLogP of -2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174002978 is sourced from PubChem (CID 174002978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).