2-(2-methylprop-2-enylsulfinyl)ethanol

C6H12O2S — CID 14965541

IUPAC2-(2-methylprop-2-enylsulfinyl)ethanol
SMILESC=C(C)CS(=O)CCO
InChIInChI=1S/C6H12O2S/c1-6(2)5-9(8)4-3-7/h7H,1,3-5H2,2H3
InChIKeyHTLKOBJMHBJBSX-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.30
Rot. Bonds4

About 2-(2-methylprop-2-enylsulfinyl)ethanol

2-(2-methylprop-2-enylsulfinyl)ethanol (PubChem CID 14965541) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylsulfinyl)ethanol.

Molecular Properties

Compound Name2-(2-methylprop-2-enylsulfinyl)ethanol
PubChem CID14965541
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2-(2-methylprop-2-enylsulfinyl)ethanol
SMILESC=C(C)CS(=O)CCO
InChIInChI=1S/C6H12O2S/c1-6(2)5-9(8)4-3-7/h7H,1,3-5H2,2H3
InChIKeyHTLKOBJMHBJBSX-UHFFFAOYSA-N
XLogP0.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylsulfinyl)ethanol?
The IUPAC name of 2-(2-methylprop-2-enylsulfinyl)ethanol (CID 14965541) is 2-(2-methylprop-2-enylsulfinyl)ethanol.
What is the SMILES notation for 2-(2-methylprop-2-enylsulfinyl)ethanol?
The canonical SMILES for 2-(2-methylprop-2-enylsulfinyl)ethanol is C=C(C)CS(=O)CCO.
What is the InChIKey of 2-(2-methylprop-2-enylsulfinyl)ethanol?
The InChIKey is HTLKOBJMHBJBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-6(2)5-9(8)4-3-7/h7H,1,3-5H2,2H3.
What are the key properties of 2-(2-methylprop-2-enylsulfinyl)ethanol?
2-(2-methylprop-2-enylsulfinyl)ethanol has a molecular weight of 148.23 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylsulfinyl)ethanol is sourced from PubChem (CID 14965541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).