cyclobutane;phosphane;sulfuric acid

C4H13O4PS — CID 174420693

IUPACcyclobutane;phosphane;sulfuric acid
SMILESC1CCC1.O=S(=O)(O)O.P
InChIInChI=1S/C4H8.H2O4S.H3P/c1-2-4-3-1;1-5(2,3)4;/h1-4H2;(H2,1,2,3,4);1H3
InChIKeyKPOQGBFRTNKENG-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.97
Rot. Bonds

About cyclobutane;phosphane;sulfuric acid

cyclobutane;phosphane;sulfuric acid (PubChem CID 174420693) has the molecular formula C4H13O4PS and a molecular weight of 188.18 g/mol. Its IUPAC name is cyclobutane;phosphane;sulfuric acid.

Molecular Properties

Compound Namecyclobutane;phosphane;sulfuric acid
PubChem CID174420693
Molecular FormulaC4H13O4PS
Molecular Weight188.18 g/mol
Exact Mass188.03
IUPAC Namecyclobutane;phosphane;sulfuric acid
SMILESC1CCC1.O=S(=O)(O)O.P
InChIInChI=1S/C4H8.H2O4S.H3P/c1-2-4-3-1;1-5(2,3)4;/h1-4H2;(H2,1,2,3,4);1H3
InChIKeyKPOQGBFRTNKENG-UHFFFAOYSA-N
XLogP0.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;phosphane;sulfuric acid?
The IUPAC name of cyclobutane;phosphane;sulfuric acid (CID 174420693) is cyclobutane;phosphane;sulfuric acid.
What is the SMILES notation for cyclobutane;phosphane;sulfuric acid?
The canonical SMILES for cyclobutane;phosphane;sulfuric acid is C1CCC1.O=S(=O)(O)O.P.
What is the InChIKey of cyclobutane;phosphane;sulfuric acid?
The InChIKey is KPOQGBFRTNKENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.H2O4S.H3P/c1-2-4-3-1;1-5(2,3)4;/h1-4H2;(H2,1,2,3,4);1H3.
What are the key properties of cyclobutane;phosphane;sulfuric acid?
cyclobutane;phosphane;sulfuric acid has a molecular weight of 188.18 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;phosphane;sulfuric acid is sourced from PubChem (CID 174420693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).