butane-1,1-disulfonic acid

C4H10O6S2 — CID 22673385

IUPACbutane-1,1-disulfonic acid
SMILESCCCC(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C4H10O6S2/c1-2-3-4(11(5,6)7)12(8,9)10/h4H,2-3H2,1H3,(H,5,6,7)(H,8,9,10)
InChIKeyFUDAIDRKVVTJFF-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.11
Rot. Bonds4

About butane-1,1-disulfonic acid

butane-1,1-disulfonic acid (PubChem CID 22673385) has the molecular formula C4H10O6S2 and a molecular weight of 218.25 g/mol. Its IUPAC name is butane-1,1-disulfonic acid.

Molecular Properties

Compound Namebutane-1,1-disulfonic acid
PubChem CID22673385
Molecular FormulaC4H10O6S2
Molecular Weight218.25 g/mol
Exact Mass217.99
IUPAC Namebutane-1,1-disulfonic acid
SMILESCCCC(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C4H10O6S2/c1-2-3-4(11(5,6)7)12(8,9)10/h4H,2-3H2,1H3,(H,5,6,7)(H,8,9,10)
InChIKeyFUDAIDRKVVTJFF-UHFFFAOYSA-N
XLogP-0.11
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.11
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-1,1-disulfonic acid?
The IUPAC name of butane-1,1-disulfonic acid (CID 22673385) is butane-1,1-disulfonic acid.
What is the SMILES notation for butane-1,1-disulfonic acid?
The canonical SMILES for butane-1,1-disulfonic acid is CCCC(S(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of butane-1,1-disulfonic acid?
The InChIKey is FUDAIDRKVVTJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O6S2/c1-2-3-4(11(5,6)7)12(8,9)10/h4H,2-3H2,1H3,(H,5,6,7)(H,8,9,10).
What are the key properties of butane-1,1-disulfonic acid?
butane-1,1-disulfonic acid has a molecular weight of 218.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,1-disulfonic acid is sourced from PubChem (CID 22673385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).