2-(3-bromopropylsulfinyl)-2-methylpropane

C7H15BrOS — CID 134994760

IUPAC2-(3-bromopropylsulfinyl)-2-methylpropane
SMILESCC(C)(C)S(=O)CCCBr
InChIInChI=1S/C7H15BrOS/c1-7(2,3)10(9)6-4-5-8/h4-6H2,1-3H3
InChIKeyPGVNBPSSIPSWLO-UHFFFAOYSA-N
MW227.17 g/mol
LogP2.32
Rot. Bonds3

About 2-(3-bromopropylsulfinyl)-2-methylpropane

2-(3-bromopropylsulfinyl)-2-methylpropane (PubChem CID 134994760) has the molecular formula C7H15BrOS and a molecular weight of 227.17 g/mol. Its IUPAC name is 2-(3-bromopropylsulfinyl)-2-methylpropane.

Molecular Properties

Compound Name2-(3-bromopropylsulfinyl)-2-methylpropane
PubChem CID134994760
Molecular FormulaC7H15BrOS
Molecular Weight227.17 g/mol
Exact Mass226.00
IUPAC Name2-(3-bromopropylsulfinyl)-2-methylpropane
SMILESCC(C)(C)S(=O)CCCBr
InChIInChI=1S/C7H15BrOS/c1-7(2,3)10(9)6-4-5-8/h4-6H2,1-3H3
InChIKeyPGVNBPSSIPSWLO-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(3-bromopropylsulfinyl)-2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Bromo-3-(tert-butylsulfanyl)propane
CID 15323068
1-Bromo-3-methylsulfinylpropane
CID 129923552
(1-Bromo-ethanesulfinyl)-ethane
CID 555949
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
1-Bromo-5-ethylsulfinylpentane
CID 134927700
1-Bromo-5-tert-butylsulfinylpentane
CID 134928013
1-Bromo-4-ethylsulfinylbutane
CID 134928730

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropylsulfinyl)-2-methylpropane?
The IUPAC name of 2-(3-bromopropylsulfinyl)-2-methylpropane (CID 134994760) is 2-(3-bromopropylsulfinyl)-2-methylpropane.
What is the SMILES notation for 2-(3-bromopropylsulfinyl)-2-methylpropane?
The canonical SMILES for 2-(3-bromopropylsulfinyl)-2-methylpropane is CC(C)(C)S(=O)CCCBr.
What is the InChIKey of 2-(3-bromopropylsulfinyl)-2-methylpropane?
The InChIKey is PGVNBPSSIPSWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrOS/c1-7(2,3)10(9)6-4-5-8/h4-6H2,1-3H3.
What are the key properties of 2-(3-bromopropylsulfinyl)-2-methylpropane?
2-(3-bromopropylsulfinyl)-2-methylpropane has a molecular weight of 227.17 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropylsulfinyl)-2-methylpropane is sourced from PubChem (CID 134994760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).