1,3-disulfonylpropan-2-ol;ethene

C5H8O5S2 — CID 22184289

IUPAC1,3-disulfonylpropan-2-ol;ethene
SMILESC=C.O=S(=O)=CC(O)C=S(=O)=O
InChIInChI=1S/C3H4O5S2.C2H4/c4-3(1-9(5)6)2-10(7)8;1-2/h1-4H;1-2H2
InChIKeyLBXCDNLXCOITTR-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.49
Rot. Bonds2

About 1,3-disulfonylpropan-2-ol;ethene

1,3-disulfonylpropan-2-ol;ethene (PubChem CID 22184289) has the molecular formula C5H8O5S2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1,3-disulfonylpropan-2-ol;ethene.

Molecular Properties

Compound Name1,3-disulfonylpropan-2-ol;ethene
PubChem CID22184289
Molecular FormulaC5H8O5S2
Molecular Weight212.25 g/mol
Exact Mass211.98
IUPAC Name1,3-disulfonylpropan-2-ol;ethene
SMILESC=C.O=S(=O)=CC(O)C=S(=O)=O
InChIInChI=1S/C3H4O5S2.C2H4/c4-3(1-9(5)6)2-10(7)8;1-2/h1-4H;1-2H2
InChIKeyLBXCDNLXCOITTR-UHFFFAOYSA-N
XLogP-1.49
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-disulfonylpropan-2-ol;ethene?
The IUPAC name of 1,3-disulfonylpropan-2-ol;ethene (CID 22184289) is 1,3-disulfonylpropan-2-ol;ethene.
What is the SMILES notation for 1,3-disulfonylpropan-2-ol;ethene?
The canonical SMILES for 1,3-disulfonylpropan-2-ol;ethene is C=C.O=S(=O)=CC(O)C=S(=O)=O.
What is the InChIKey of 1,3-disulfonylpropan-2-ol;ethene?
The InChIKey is LBXCDNLXCOITTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O5S2.C2H4/c4-3(1-9(5)6)2-10(7)8;1-2/h1-4H;1-2H2.
What are the key properties of 1,3-disulfonylpropan-2-ol;ethene?
1,3-disulfonylpropan-2-ol;ethene has a molecular weight of 212.25 g/mol, XLogP of -1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-disulfonylpropan-2-ol;ethene is sourced from PubChem (CID 22184289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).