butane-1,4-disulfonic acid;ethene

C6H14O6S2 — CID 19784040

IUPACbutane-1,4-disulfonic acid;ethene
SMILESC=C.O=S(=O)(O)CCCCS(=O)(=O)O
InChIInChI=1S/C4H10O6S2.C2H4/c5-11(6,7)3-1-2-4-12(8,9)10;1-2/h1-4H2,(H,5,6,7)(H,8,9,10);1-2H2
InChIKeyRKPGDNKAFFDUSQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.34
Rot. Bonds5

About butane-1,4-disulfonic acid;ethene

butane-1,4-disulfonic acid;ethene (PubChem CID 19784040) has the molecular formula C6H14O6S2 and a molecular weight of 246.31 g/mol. Its IUPAC name is butane-1,4-disulfonic acid;ethene.

Molecular Properties

Compound Namebutane-1,4-disulfonic acid;ethene
PubChem CID19784040
Molecular FormulaC6H14O6S2
Molecular Weight246.31 g/mol
Exact Mass246.02
IUPAC Namebutane-1,4-disulfonic acid;ethene
SMILESC=C.O=S(=O)(O)CCCCS(=O)(=O)O
InChIInChI=1S/C4H10O6S2.C2H4/c5-11(6,7)3-1-2-4-12(8,9)10;1-2/h1-4H2,(H,5,6,7)(H,8,9,10);1-2H2
InChIKeyRKPGDNKAFFDUSQ-UHFFFAOYSA-N
XLogP0.34
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butane-1,4-disulfonic acid;ethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butane-1,4-disulfonic acid;ethene?
The IUPAC name of butane-1,4-disulfonic acid;ethene (CID 19784040) is butane-1,4-disulfonic acid;ethene.
What is the SMILES notation for butane-1,4-disulfonic acid;ethene?
The canonical SMILES for butane-1,4-disulfonic acid;ethene is C=C.O=S(=O)(O)CCCCS(=O)(=O)O.
What is the InChIKey of butane-1,4-disulfonic acid;ethene?
The InChIKey is RKPGDNKAFFDUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O6S2.C2H4/c5-11(6,7)3-1-2-4-12(8,9)10;1-2/h1-4H2,(H,5,6,7)(H,8,9,10);1-2H2.
What are the key properties of butane-1,4-disulfonic acid;ethene?
butane-1,4-disulfonic acid;ethene has a molecular weight of 246.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,4-disulfonic acid;ethene is sourced from PubChem (CID 19784040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).