2,2-bis(ethenylsulfonyl)ethanol

C6H10O5S2 — CID 87529797

IUPAC2,2-bis(ethenylsulfonyl)ethanol
SMILESC=CS(=O)(=O)C(CO)S(=O)(=O)C=C
InChIInChI=1S/C6H10O5S2/c1-3-12(8,9)6(5-7)13(10,11)4-2/h3-4,6-7H,1-2,5H2
InChIKeyABXZTVSSHGDNTE-UHFFFAOYSA-N
MW226.27 g/mol
LogP-0.58
Rot. Bonds5

About 2,2-bis(ethenylsulfonyl)ethanol

2,2-bis(ethenylsulfonyl)ethanol (PubChem CID 87529797) has the molecular formula C6H10O5S2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2,2-bis(ethenylsulfonyl)ethanol.

Molecular Properties

Compound Name2,2-bis(ethenylsulfonyl)ethanol
PubChem CID87529797
Molecular FormulaC6H10O5S2
Molecular Weight226.27 g/mol
Exact Mass226.00
IUPAC Name2,2-bis(ethenylsulfonyl)ethanol
SMILESC=CS(=O)(=O)C(CO)S(=O)(=O)C=C
InChIInChI=1S/C6H10O5S2/c1-3-12(8,9)6(5-7)13(10,11)4-2/h3-4,6-7H,1-2,5H2
InChIKeyABXZTVSSHGDNTE-UHFFFAOYSA-N
XLogP-0.58
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethenylsulfonyl)ethanol?
The IUPAC name of 2,2-bis(ethenylsulfonyl)ethanol (CID 87529797) is 2,2-bis(ethenylsulfonyl)ethanol.
What is the SMILES notation for 2,2-bis(ethenylsulfonyl)ethanol?
The canonical SMILES for 2,2-bis(ethenylsulfonyl)ethanol is C=CS(=O)(=O)C(CO)S(=O)(=O)C=C.
What is the InChIKey of 2,2-bis(ethenylsulfonyl)ethanol?
The InChIKey is ABXZTVSSHGDNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S2/c1-3-12(8,9)6(5-7)13(10,11)4-2/h3-4,6-7H,1-2,5H2.
What are the key properties of 2,2-bis(ethenylsulfonyl)ethanol?
2,2-bis(ethenylsulfonyl)ethanol has a molecular weight of 226.27 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethenylsulfonyl)ethanol is sourced from PubChem (CID 87529797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).