2-butylsulfinylethanol

C6H14O2S — CID 12518262

IUPAC2-butylsulfinylethanol
SMILESCCCCS(=O)CCO
InChIInChI=1S/C6H14O2S/c1-2-3-5-9(8)6-4-7/h7H,2-6H2,1H3
InChIKeyBAMLEZOLLYVQCY-UHFFFAOYSA-N
MW150.24 g/mol
LogP0.53
Rot. Bonds5

About 2-butylsulfinylethanol

2-butylsulfinylethanol (PubChem CID 12518262) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is 2-butylsulfinylethanol.

Molecular Properties

Compound Name2-butylsulfinylethanol
PubChem CID12518262
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Name2-butylsulfinylethanol
SMILESCCCCS(=O)CCO
InChIInChI=1S/C6H14O2S/c1-2-3-5-9(8)6-4-7/h7H,2-6H2,1H3
InChIKeyBAMLEZOLLYVQCY-UHFFFAOYSA-N
XLogP0.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinylethanol?
The IUPAC name of 2-butylsulfinylethanol (CID 12518262) is 2-butylsulfinylethanol.
What is the SMILES notation for 2-butylsulfinylethanol?
The canonical SMILES for 2-butylsulfinylethanol is CCCCS(=O)CCO.
What is the InChIKey of 2-butylsulfinylethanol?
The InChIKey is BAMLEZOLLYVQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S/c1-2-3-5-9(8)6-4-7/h7H,2-6H2,1H3.
What are the key properties of 2-butylsulfinylethanol?
2-butylsulfinylethanol has a molecular weight of 150.24 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinylethanol is sourced from PubChem (CID 12518262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).