2-ethenylsulfinylbutane

C6H12OS — CID 139457992

IUPAC2-ethenylsulfinylbutane
SMILESC=CS(=O)C(C)CC
InChIInChI=1S/C6H12OS/c1-4-6(3)8(7)5-2/h5-6H,2,4H2,1,3H3
InChIKeyCWNJJHARLBUNFW-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.68
Rot. Bonds3

About 2-ethenylsulfinylbutane

2-ethenylsulfinylbutane (PubChem CID 139457992) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-ethenylsulfinylbutane.

Molecular Properties

Compound Name2-ethenylsulfinylbutane
PubChem CID139457992
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-ethenylsulfinylbutane
SMILESC=CS(=O)C(C)CC
InChIInChI=1S/C6H12OS/c1-4-6(3)8(7)5-2/h5-6H,2,4H2,1,3H3
InChIKeyCWNJJHARLBUNFW-UHFFFAOYSA-N
XLogP1.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfinylbutane?
The IUPAC name of 2-ethenylsulfinylbutane (CID 139457992) is 2-ethenylsulfinylbutane.
What is the SMILES notation for 2-ethenylsulfinylbutane?
The canonical SMILES for 2-ethenylsulfinylbutane is C=CS(=O)C(C)CC.
What is the InChIKey of 2-ethenylsulfinylbutane?
The InChIKey is CWNJJHARLBUNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-4-6(3)8(7)5-2/h5-6H,2,4H2,1,3H3.
What are the key properties of 2-ethenylsulfinylbutane?
2-ethenylsulfinylbutane has a molecular weight of 132.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfinylbutane is sourced from PubChem (CID 139457992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).