bis(ethenylsulfonyl)methanol

C5H8O5S2 — CID 87959265

IUPACbis(ethenylsulfonyl)methanol
SMILESC=CS(=O)(=O)C(O)S(=O)(=O)C=C
InChIInChI=1S/C5H8O5S2/c1-3-11(7,8)5(6)12(9,10)4-2/h3-6H,1-2H2
InChIKeyGBVDQOVKWZTDSF-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.62
Rot. Bonds4

About bis(ethenylsulfonyl)methanol

bis(ethenylsulfonyl)methanol (PubChem CID 87959265) has the molecular formula C5H8O5S2 and a molecular weight of 212.25 g/mol. Its IUPAC name is bis(ethenylsulfonyl)methanol.

Molecular Properties

Compound Namebis(ethenylsulfonyl)methanol
PubChem CID87959265
Molecular FormulaC5H8O5S2
Molecular Weight212.25 g/mol
Exact Mass211.98
IUPAC Namebis(ethenylsulfonyl)methanol
SMILESC=CS(=O)(=O)C(O)S(=O)(=O)C=C
InChIInChI=1S/C5H8O5S2/c1-3-11(7,8)5(6)12(9,10)4-2/h3-6H,1-2H2
InChIKeyGBVDQOVKWZTDSF-UHFFFAOYSA-N
XLogP-0.62
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(ethenylsulfonyl)methanol?
The IUPAC name of bis(ethenylsulfonyl)methanol (CID 87959265) is bis(ethenylsulfonyl)methanol.
What is the SMILES notation for bis(ethenylsulfonyl)methanol?
The canonical SMILES for bis(ethenylsulfonyl)methanol is C=CS(=O)(=O)C(O)S(=O)(=O)C=C.
What is the InChIKey of bis(ethenylsulfonyl)methanol?
The InChIKey is GBVDQOVKWZTDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5S2/c1-3-11(7,8)5(6)12(9,10)4-2/h3-6H,1-2H2.
What are the key properties of bis(ethenylsulfonyl)methanol?
bis(ethenylsulfonyl)methanol has a molecular weight of 212.25 g/mol, XLogP of -0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenylsulfonyl)methanol is sourced from PubChem (CID 87959265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).