1-(bromomethyl)-1-methylsulfonylcyclopropane

C5H9BrO2S — CID 131565511

IUPAC1-(bromomethyl)-1-methylsulfonylcyclopropane
SMILESCS(=O)(=O)C1(CBr)CC1
InChIInChI=1S/C5H9BrO2S/c1-9(7,8)5(4-6)2-3-5/h2-4H2,1H3
InChIKeyTWHKTCPOKAZDSI-UHFFFAOYSA-N
MW213.10 g/mol
LogP0.96
Rot. Bonds2

About 1-(bromomethyl)-1-methylsulfonylcyclopropane

1-(bromomethyl)-1-methylsulfonylcyclopropane (PubChem CID 131565511) has the molecular formula C5H9BrO2S and a molecular weight of 213.10 g/mol. Its IUPAC name is 1-(bromomethyl)-1-methylsulfonylcyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-1-methylsulfonylcyclopropane
PubChem CID131565511
Molecular FormulaC5H9BrO2S
Molecular Weight213.10 g/mol
Exact Mass211.95
IUPAC Name1-(bromomethyl)-1-methylsulfonylcyclopropane
SMILESCS(=O)(=O)C1(CBr)CC1
InChIInChI=1S/C5H9BrO2S/c1-9(7,8)5(4-6)2-3-5/h2-4H2,1H3
InChIKeyTWHKTCPOKAZDSI-UHFFFAOYSA-N
XLogP0.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-methylsulfonylcyclopropane?
The IUPAC name of 1-(bromomethyl)-1-methylsulfonylcyclopropane (CID 131565511) is 1-(bromomethyl)-1-methylsulfonylcyclopropane.
What is the SMILES notation for 1-(bromomethyl)-1-methylsulfonylcyclopropane?
The canonical SMILES for 1-(bromomethyl)-1-methylsulfonylcyclopropane is CS(=O)(=O)C1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-1-methylsulfonylcyclopropane?
The InChIKey is TWHKTCPOKAZDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO2S/c1-9(7,8)5(4-6)2-3-5/h2-4H2,1H3.
What are the key properties of 1-(bromomethyl)-1-methylsulfonylcyclopropane?
1-(bromomethyl)-1-methylsulfonylcyclopropane has a molecular weight of 213.10 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-methylsulfonylcyclopropane is sourced from PubChem (CID 131565511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).