2-ethylsulfinylbutane

C6H14OS — CID 522633

IUPAC2-ethylsulfinylbutane
SMILESCCC(C)S(=O)CC
InChIInChI=1S/C6H14OS/c1-4-6(3)8(7)5-2/h6H,4-5H2,1-3H3
InChIKeyLEWXGMHZJYIGGE-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.55
Rot. Bonds3

About 2-ethylsulfinylbutane

2-ethylsulfinylbutane (PubChem CID 522633) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 2-ethylsulfinylbutane.

Molecular Properties

Compound Name2-ethylsulfinylbutane
PubChem CID522633
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name2-ethylsulfinylbutane
SMILESCCC(C)S(=O)CC
InChIInChI=1S/C6H14OS/c1-4-6(3)8(7)5-2/h6H,4-5H2,1-3H3
InChIKeyLEWXGMHZJYIGGE-UHFFFAOYSA-N
XLogP1.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetramethylene sulfoxide
CID 1128
Propyl sulfone
CID 11709
Diethyl sulfoxide
CID 6263
Dibutyl sulfoxide
CID 16568
1,1'-Sulfinylbis(propane)
CID 20252
Pentyl sulfoxide
CID 74806
Isopropyl sulfoxide
CID 16645
Butyl ethyl sulfone
CID 520509
Methyl 1-(methylsulfinyl)propyl disulfide
CID 14704626
tert-Butyl ethyl sulfoxide
CID 141207
i-Butylmethylsulfoxide
CID 12176490
Methyl propyl sulfoxide
CID 123336

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinylbutane?
The IUPAC name of 2-ethylsulfinylbutane (CID 522633) is 2-ethylsulfinylbutane.
What is the SMILES notation for 2-ethylsulfinylbutane?
The canonical SMILES for 2-ethylsulfinylbutane is CCC(C)S(=O)CC.
What is the InChIKey of 2-ethylsulfinylbutane?
The InChIKey is LEWXGMHZJYIGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-4-6(3)8(7)5-2/h6H,4-5H2,1-3H3.
What are the key properties of 2-ethylsulfinylbutane?
2-ethylsulfinylbutane has a molecular weight of 134.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinylbutane is sourced from PubChem (CID 522633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).