butane;sulfur dioxide;sulfuric acid

C4H12O6S2 — CID 174729220

IUPACbutane;sulfur dioxide;sulfuric acid
SMILESCCCC.O=S(=O)(O)O.O=S=O
InChIInChI=1S/C4H10.H2O4S.O2S/c1-3-4-2;1-5(2,3)4;1-3-2/h3-4H2,1-2H3;(H2,1,2,3,4);
InChIKeyRCPJHOKVLDSKFQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.48
Rot. Bonds1

About butane;sulfur dioxide;sulfuric acid

butane;sulfur dioxide;sulfuric acid (PubChem CID 174729220) has the molecular formula C4H12O6S2 and a molecular weight of 220.27 g/mol. Its IUPAC name is butane;sulfur dioxide;sulfuric acid.

Molecular Properties

Compound Namebutane;sulfur dioxide;sulfuric acid
PubChem CID174729220
Molecular FormulaC4H12O6S2
Molecular Weight220.27 g/mol
Exact Mass220.01
IUPAC Namebutane;sulfur dioxide;sulfuric acid
SMILESCCCC.O=S(=O)(O)O.O=S=O
InChIInChI=1S/C4H10.H2O4S.O2S/c1-3-4-2;1-5(2,3)4;1-3-2/h3-4H2,1-2H3;(H2,1,2,3,4);
InChIKeyRCPJHOKVLDSKFQ-UHFFFAOYSA-N
XLogP0.48
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;sulfur dioxide;sulfuric acid?
The IUPAC name of butane;sulfur dioxide;sulfuric acid (CID 174729220) is butane;sulfur dioxide;sulfuric acid.
What is the SMILES notation for butane;sulfur dioxide;sulfuric acid?
The canonical SMILES for butane;sulfur dioxide;sulfuric acid is CCCC.O=S(=O)(O)O.O=S=O.
What is the InChIKey of butane;sulfur dioxide;sulfuric acid?
The InChIKey is RCPJHOKVLDSKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.H2O4S.O2S/c1-3-4-2;1-5(2,3)4;1-3-2/h3-4H2,1-2H3;(H2,1,2,3,4);.
What are the key properties of butane;sulfur dioxide;sulfuric acid?
butane;sulfur dioxide;sulfuric acid has a molecular weight of 220.27 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;sulfur dioxide;sulfuric acid is sourced from PubChem (CID 174729220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).