2,3-bis(ethenylsulfonyl)butane

C8H14O4S2 — CID 158758752

IUPAC2,3-bis(ethenylsulfonyl)butane
SMILESC=CS(=O)(=O)C(C)C(C)S(=O)(=O)C=C
InChIInChI=1S/C8H14O4S2/c1-5-13(9,10)7(3)8(4)14(11,12)6-2/h5-8H,1-2H2,3-4H3
InChIKeyIOKAVWUQOZXNAM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.88
Rot. Bonds5

About 2,3-bis(ethenylsulfonyl)butane

2,3-bis(ethenylsulfonyl)butane (PubChem CID 158758752) has the molecular formula C8H14O4S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,3-bis(ethenylsulfonyl)butane.

Molecular Properties

Compound Name2,3-bis(ethenylsulfonyl)butane
PubChem CID158758752
Molecular FormulaC8H14O4S2
Molecular Weight238.33 g/mol
Exact Mass238.03
IUPAC Name2,3-bis(ethenylsulfonyl)butane
SMILESC=CS(=O)(=O)C(C)C(C)S(=O)(=O)C=C
InChIInChI=1S/C8H14O4S2/c1-5-13(9,10)7(3)8(4)14(11,12)6-2/h5-8H,1-2H2,3-4H3
InChIKeyIOKAVWUQOZXNAM-UHFFFAOYSA-N
XLogP0.88
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenylsulfonyl)butane?
The IUPAC name of 2,3-bis(ethenylsulfonyl)butane (CID 158758752) is 2,3-bis(ethenylsulfonyl)butane.
What is the SMILES notation for 2,3-bis(ethenylsulfonyl)butane?
The canonical SMILES for 2,3-bis(ethenylsulfonyl)butane is C=CS(=O)(=O)C(C)C(C)S(=O)(=O)C=C.
What is the InChIKey of 2,3-bis(ethenylsulfonyl)butane?
The InChIKey is IOKAVWUQOZXNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S2/c1-5-13(9,10)7(3)8(4)14(11,12)6-2/h5-8H,1-2H2,3-4H3.
What are the key properties of 2,3-bis(ethenylsulfonyl)butane?
2,3-bis(ethenylsulfonyl)butane has a molecular weight of 238.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenylsulfonyl)butane is sourced from PubChem (CID 158758752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).