1-bromo-6-ethylsulfinylhexane

C8H17BrOS — CID 134928128

IUPAC1-bromo-6-ethylsulfinylhexane
SMILESCCS(=O)CCCCCCBr
InChIInChI=1S/C8H17BrOS/c1-2-11(10)8-6-4-3-5-7-9/h2-8H2,1H3
InChIKeyACJBZKFWCHNBFZ-UHFFFAOYSA-N
MW241.19 g/mol
LogP2.71
Rot. Bonds7

About 1-bromo-6-ethylsulfinylhexane

1-bromo-6-ethylsulfinylhexane (PubChem CID 134928128) has the molecular formula C8H17BrOS and a molecular weight of 241.19 g/mol. Its IUPAC name is 1-bromo-6-ethylsulfinylhexane.

Molecular Properties

Compound Name1-bromo-6-ethylsulfinylhexane
PubChem CID134928128
Molecular FormulaC8H17BrOS
Molecular Weight241.19 g/mol
Exact Mass240.02
IUPAC Name1-bromo-6-ethylsulfinylhexane
SMILESCCS(=O)CCCCCCBr
InChIInChI=1S/C8H17BrOS/c1-2-11(10)8-6-4-3-5-7-9/h2-8H2,1H3
InChIKeyACJBZKFWCHNBFZ-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-ethylsulfinylhexane?
The IUPAC name of 1-bromo-6-ethylsulfinylhexane (CID 134928128) is 1-bromo-6-ethylsulfinylhexane.
What is the SMILES notation for 1-bromo-6-ethylsulfinylhexane?
The canonical SMILES for 1-bromo-6-ethylsulfinylhexane is CCS(=O)CCCCCCBr.
What is the InChIKey of 1-bromo-6-ethylsulfinylhexane?
The InChIKey is ACJBZKFWCHNBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrOS/c1-2-11(10)8-6-4-3-5-7-9/h2-8H2,1H3.
What are the key properties of 1-bromo-6-ethylsulfinylhexane?
1-bromo-6-ethylsulfinylhexane has a molecular weight of 241.19 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-ethylsulfinylhexane is sourced from PubChem (CID 134928128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).