[1-(2-iodoethyl)cyclopropyl] sulfite

C5H8IO3S- — CID 121433332

IUPAC[1-(2-iodoethyl)cyclopropyl] sulfite
SMILESO=S([O-])OC1(CCI)CC1
InChIInChI=1S/C5H9IO3S/c6-4-3-5(1-2-5)9-10(7)8/h1-4H2,(H,7,8)/p-1
InChIKeyAAQCPBPTZFOJMS-UHFFFAOYSA-M
MW275.09 g/mol
LogP1.15
Rot. Bonds4

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

[1-(2-iodoethyl)cyclopropyl] sulfite (PubChem CID 121433332) has the molecular formula C5H8IO3S- and a molecular weight of 275.09 g/mol. Its IUPAC name is [1-(2-iodoethyl)cyclopropyl] sulfite.

Molecular Properties

Compound Name[1-(2-iodoethyl)cyclopropyl] sulfite
PubChem CID121433332
Molecular FormulaC5H8IO3S-
Molecular Weight275.09 g/mol
Exact Mass274.92
IUPAC Name[1-(2-iodoethyl)cyclopropyl] sulfite
SMILESO=S([O-])OC1(CCI)CC1
InChIInChI=1S/C5H9IO3S/c6-4-3-5(1-2-5)9-10(7)8/h1-4H2,(H,7,8)/p-1
InChIKeyAAQCPBPTZFOJMS-UHFFFAOYSA-M
XLogP1.15
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-Iodoethyl)cyclopropyl] hydrogen sulfite
CID 121433333

Frequently Asked Questions

What is the IUPAC name of [1-(2-iodoethyl)cyclopropyl] sulfite?
The IUPAC name of [1-(2-iodoethyl)cyclopropyl] sulfite (CID 121433332) is [1-(2-iodoethyl)cyclopropyl] sulfite.
What is the SMILES notation for [1-(2-iodoethyl)cyclopropyl] sulfite?
The canonical SMILES for [1-(2-iodoethyl)cyclopropyl] sulfite is O=S([O-])OC1(CCI)CC1.
What is the InChIKey of [1-(2-iodoethyl)cyclopropyl] sulfite?
The InChIKey is AAQCPBPTZFOJMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9IO3S/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-iodoethyl)cyclopropyl] sulfite?
[1-(2-iodoethyl)cyclopropyl] sulfite has a molecular weight of 275.09 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-iodoethyl)cyclopropyl] sulfite is sourced from PubChem (CID 121433332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).