2-ethenylsulfonylbutane

C6H12O2S — CID 23466644

IUPAC2-ethenylsulfonylbutane
SMILESC=CS(=O)(=O)C(C)CC
InChIInChI=1S/C6H12O2S/c1-4-6(3)9(7,8)5-2/h5-6H,2,4H2,1,3H3
InChIKeyKHHFGRSQMWJVPO-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.34
Rot. Bonds3

About 2-ethenylsulfonylbutane

2-ethenylsulfonylbutane (PubChem CID 23466644) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-ethenylsulfonylbutane.

Molecular Properties

Compound Name2-ethenylsulfonylbutane
PubChem CID23466644
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2-ethenylsulfonylbutane
SMILESC=CS(=O)(=O)C(C)CC
InChIInChI=1S/C6H12O2S/c1-4-6(3)9(7,8)5-2/h5-6H,2,4H2,1,3H3
InChIKeyKHHFGRSQMWJVPO-UHFFFAOYSA-N
XLogP1.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonylbutane?
The IUPAC name of 2-ethenylsulfonylbutane (CID 23466644) is 2-ethenylsulfonylbutane.
What is the SMILES notation for 2-ethenylsulfonylbutane?
The canonical SMILES for 2-ethenylsulfonylbutane is C=CS(=O)(=O)C(C)CC.
What is the InChIKey of 2-ethenylsulfonylbutane?
The InChIKey is KHHFGRSQMWJVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-4-6(3)9(7,8)5-2/h5-6H,2,4H2,1,3H3.
What are the key properties of 2-ethenylsulfonylbutane?
2-ethenylsulfonylbutane has a molecular weight of 148.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonylbutane is sourced from PubChem (CID 23466644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).