[1-(2-bromoethyl)cyclopropyl] sulfite

C5H8BrO3S- — CID 121433342

IUPAC[1-(2-bromoethyl)cyclopropyl] sulfite
SMILESO=S([O-])OC1(CCBr)CC1
InChIInChI=1S/C5H9BrO3S/c6-4-3-5(1-2-5)9-10(7)8/h1-4H2,(H,7,8)/p-1
InChIKeyALLVEBGVMCNPOE-UHFFFAOYSA-M
MW228.09 g/mol
LogP1.11
Rot. Bonds4

About [1-(2-bromoethyl)cyclopropyl] sulfite

[1-(2-bromoethyl)cyclopropyl] sulfite (PubChem CID 121433342) has the molecular formula C5H8BrO3S- and a molecular weight of 228.09 g/mol. Its IUPAC name is [1-(2-bromoethyl)cyclopropyl] sulfite.

Molecular Properties

Compound Name[1-(2-bromoethyl)cyclopropyl] sulfite
PubChem CID121433342
Molecular FormulaC5H8BrO3S-
Molecular Weight228.09 g/mol
Exact Mass226.94
IUPAC Name[1-(2-bromoethyl)cyclopropyl] sulfite
SMILESO=S([O-])OC1(CCBr)CC1
InChIInChI=1S/C5H9BrO3S/c6-4-3-5(1-2-5)9-10(7)8/h1-4H2,(H,7,8)/p-1
InChIKeyALLVEBGVMCNPOE-UHFFFAOYSA-M
XLogP1.11
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromoethyl)cyclopropyl] sulfite?
The IUPAC name of [1-(2-bromoethyl)cyclopropyl] sulfite (CID 121433342) is [1-(2-bromoethyl)cyclopropyl] sulfite.
What is the SMILES notation for [1-(2-bromoethyl)cyclopropyl] sulfite?
The canonical SMILES for [1-(2-bromoethyl)cyclopropyl] sulfite is O=S([O-])OC1(CCBr)CC1.
What is the InChIKey of [1-(2-bromoethyl)cyclopropyl] sulfite?
The InChIKey is ALLVEBGVMCNPOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9BrO3S/c6-4-3-5(1-2-5)9-10(7)8/h1-4H2,(H,7,8)/p-1.
What are the key properties of [1-(2-bromoethyl)cyclopropyl] sulfite?
[1-(2-bromoethyl)cyclopropyl] sulfite has a molecular weight of 228.09 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromoethyl)cyclopropyl] sulfite is sourced from PubChem (CID 121433342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).