ethenone;sulfamic acid;sulfur trioxide

C4H7NO8S2 — CID 175031083

IUPACethenone;sulfamic acid;sulfur trioxide
SMILESC=C=O.C=C=O.NS(=O)(=O)O.O=S(=O)=O
InChIInChI=1S/2C2H2O.H3NO3S.O3S/c2*1-2-3;1-5(2,3)4;1-4(2)3/h2*1H2;(H3,1,2,3,4);
InChIKeyNFKFTTRFVUBSJN-UHFFFAOYSA-N
MW261.23 g/mol
LogP-2.25
Rot. Bonds

About ethenone;sulfamic acid;sulfur trioxide

ethenone;sulfamic acid;sulfur trioxide (PubChem CID 175031083) has the molecular formula C4H7NO8S2 and a molecular weight of 261.23 g/mol. Its IUPAC name is ethenone;sulfamic acid;sulfur trioxide.

Molecular Properties

Compound Nameethenone;sulfamic acid;sulfur trioxide
PubChem CID175031083
Molecular FormulaC4H7NO8S2
Molecular Weight261.23 g/mol
Exact Mass260.96
IUPAC Nameethenone;sulfamic acid;sulfur trioxide
SMILESC=C=O.C=C=O.NS(=O)(=O)O.O=S(=O)=O
InChIInChI=1S/2C2H2O.H3NO3S.O3S/c2*1-2-3;1-5(2,3)4;1-4(2)3/h2*1H2;(H3,1,2,3,4);
InChIKeyNFKFTTRFVUBSJN-UHFFFAOYSA-N
XLogP-2.25
TPSA165.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-2.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenone;sulfamic acid;sulfur trioxide?
The IUPAC name of ethenone;sulfamic acid;sulfur trioxide (CID 175031083) is ethenone;sulfamic acid;sulfur trioxide.
What is the SMILES notation for ethenone;sulfamic acid;sulfur trioxide?
The canonical SMILES for ethenone;sulfamic acid;sulfur trioxide is C=C=O.C=C=O.NS(=O)(=O)O.O=S(=O)=O.
What is the InChIKey of ethenone;sulfamic acid;sulfur trioxide?
The InChIKey is NFKFTTRFVUBSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2O.H3NO3S.O3S/c2*1-2-3;1-5(2,3)4;1-4(2)3/h2*1H2;(H3,1,2,3,4);.
What are the key properties of ethenone;sulfamic acid;sulfur trioxide?
ethenone;sulfamic acid;sulfur trioxide has a molecular weight of 261.23 g/mol, XLogP of -2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethenone;sulfamic acid;sulfur trioxide is sourced from PubChem (CID 175031083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).