1-bromo-6-propylsulfinylhexane

C9H19BrOS — CID 134994328

IUPAC1-bromo-6-propylsulfinylhexane
SMILESCCCS(=O)CCCCCCBr
InChIInChI=1S/C9H19BrOS/c1-2-8-12(11)9-6-4-3-5-7-10/h2-9H2,1H3
InChIKeyODCCQZHPLUFNAD-UHFFFAOYSA-N
MW255.22 g/mol
LogP3.10
Rot. Bonds8

About 1-bromo-6-propylsulfinylhexane

1-bromo-6-propylsulfinylhexane (PubChem CID 134994328) has the molecular formula C9H19BrOS and a molecular weight of 255.22 g/mol. Its IUPAC name is 1-bromo-6-propylsulfinylhexane.

Molecular Properties

Compound Name1-bromo-6-propylsulfinylhexane
PubChem CID134994328
Molecular FormulaC9H19BrOS
Molecular Weight255.22 g/mol
Exact Mass254.03
IUPAC Name1-bromo-6-propylsulfinylhexane
SMILESCCCS(=O)CCCCCCBr
InChIInChI=1S/C9H19BrOS/c1-2-8-12(11)9-6-4-3-5-7-10/h2-9H2,1H3
InChIKeyODCCQZHPLUFNAD-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 53.10
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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Related Compounds

1-Bromo-2-ethylthiohexane
CID 129724281
1-[(3-Bromopropyl)sulfonyl]octane
CID 12518305
4-Bromobutyl octyl sulfone
CID 12518319
1-Bromo-6-ethylsulfanylhexane
CID 13839970
1-Bromo-6-propylsulfanylhexane
CID 14464510
1-Bromo-6-propan-2-ylsulfanylhexane
CID 85584522
1-Bromo-3-ethylsulfinylpropane
CID 129923554
1-Bromo-3-propan-2-ylsulfinylpropane
CID 129986430
1-Bromo-3-propylsulfinylpropane
CID 129986431
1-Bromo-5-methylsulfinylpentane
CID 130998357
1-Bromo-4-propan-2-ylsulfinylbutane
CID 134927699
1-Bromo-5-ethylsulfinylpentane
CID 134927700

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-propylsulfinylhexane?
The IUPAC name of 1-bromo-6-propylsulfinylhexane (CID 134994328) is 1-bromo-6-propylsulfinylhexane.
What is the SMILES notation for 1-bromo-6-propylsulfinylhexane?
The canonical SMILES for 1-bromo-6-propylsulfinylhexane is CCCS(=O)CCCCCCBr.
What is the InChIKey of 1-bromo-6-propylsulfinylhexane?
The InChIKey is ODCCQZHPLUFNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrOS/c1-2-8-12(11)9-6-4-3-5-7-10/h2-9H2,1H3.
What are the key properties of 1-bromo-6-propylsulfinylhexane?
1-bromo-6-propylsulfinylhexane has a molecular weight of 255.22 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-propylsulfinylhexane is sourced from PubChem (CID 134994328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).