1-bromo-5-ethylsulfinylpentane

C7H15BrOS — CID 134927700

IUPAC1-bromo-5-ethylsulfinylpentane
SMILESCCS(=O)CCCCCBr
InChIInChI=1S/C7H15BrOS/c1-2-10(9)7-5-3-4-6-8/h2-7H2,1H3
InChIKeyDRQIGQGMPATSJE-UHFFFAOYSA-N
MW227.17 g/mol
LogP2.32
Rot. Bonds6

About 1-bromo-5-ethylsulfinylpentane

1-bromo-5-ethylsulfinylpentane (PubChem CID 134927700) has the molecular formula C7H15BrOS and a molecular weight of 227.17 g/mol. Its IUPAC name is 1-bromo-5-ethylsulfinylpentane.

Molecular Properties

Compound Name1-bromo-5-ethylsulfinylpentane
PubChem CID134927700
Molecular FormulaC7H15BrOS
Molecular Weight227.17 g/mol
Exact Mass226.00
IUPAC Name1-bromo-5-ethylsulfinylpentane
SMILESCCS(=O)CCCCCBr
InChIInChI=1S/C7H15BrOS/c1-2-10(9)7-5-3-4-6-8/h2-7H2,1H3
InChIKeyDRQIGQGMPATSJE-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 52.32
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-5-(ethanesulfonyl)pentane
CID 64208737
3-Bromo-1lambda4-thian-1-one
CID 91654527
1-Bromo-5-(ethylsulfanyl)pentane
CID 13839966
1-Bromo-3-methylsulfinylpropane
CID 129923552
(1-Bromo-ethanesulfinyl)-ethane
CID 555949
1-Bromopentyl ethyl thioether
CID 129724279
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-methanesulfinylbutane
CID 131147279
1-Bromo-4-propan-2-ylsulfinylbutane
CID 134927699

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-ethylsulfinylpentane?
The IUPAC name of 1-bromo-5-ethylsulfinylpentane (CID 134927700) is 1-bromo-5-ethylsulfinylpentane.
What is the SMILES notation for 1-bromo-5-ethylsulfinylpentane?
The canonical SMILES for 1-bromo-5-ethylsulfinylpentane is CCS(=O)CCCCCBr.
What is the InChIKey of 1-bromo-5-ethylsulfinylpentane?
The InChIKey is DRQIGQGMPATSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrOS/c1-2-10(9)7-5-3-4-6-8/h2-7H2,1H3.
What are the key properties of 1-bromo-5-ethylsulfinylpentane?
1-bromo-5-ethylsulfinylpentane has a molecular weight of 227.17 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-ethylsulfinylpentane is sourced from PubChem (CID 134927700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).