2-bromoethyl-iodo-dimethyl-λ4-sulfane

C4H10BrIS — CID 134994333

IUPAC2-bromoethyl-iodo-dimethyl-λ4-sulfane
SMILESCS(C)(I)CCBr
InChIInChI=1S/C4H10BrIS/c1-7(2,6)4-3-5/h3-4H2,1-2H3
InChIKeyMUQWQUZBYNPMRF-UHFFFAOYSA-N
MW297.00 g/mol
LogP2.80
Rot. Bonds2

About 2-bromoethyl-iodo-dimethyl-λ4-sulfane

2-bromoethyl-iodo-dimethyl-λ4-sulfane (PubChem CID 134994333) has the molecular formula C4H10BrIS and a molecular weight of 297.00 g/mol. Its IUPAC name is 2-bromoethyl-iodo-dimethyl-λ4-sulfane.

Molecular Properties

Compound Name2-bromoethyl-iodo-dimethyl-λ4-sulfane
PubChem CID134994333
Molecular FormulaC4H10BrIS
Molecular Weight297.00 g/mol
Exact Mass295.87
IUPAC Name2-bromoethyl-iodo-dimethyl-λ4-sulfane
SMILESCS(C)(I)CCBr
InChIInChI=1S/C4H10BrIS/c1-7(2,6)4-3-5/h3-4H2,1-2H3
InChIKeyMUQWQUZBYNPMRF-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.00
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl-iodo-dimethyl-λ4-sulfane?
The IUPAC name of 2-bromoethyl-iodo-dimethyl-λ4-sulfane (CID 134994333) is 2-bromoethyl-iodo-dimethyl-λ4-sulfane.
What is the SMILES notation for 2-bromoethyl-iodo-dimethyl-λ4-sulfane?
The canonical SMILES for 2-bromoethyl-iodo-dimethyl-λ4-sulfane is CS(C)(I)CCBr.
What is the InChIKey of 2-bromoethyl-iodo-dimethyl-λ4-sulfane?
The InChIKey is MUQWQUZBYNPMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrIS/c1-7(2,6)4-3-5/h3-4H2,1-2H3.
What are the key properties of 2-bromoethyl-iodo-dimethyl-λ4-sulfane?
2-bromoethyl-iodo-dimethyl-λ4-sulfane has a molecular weight of 297.00 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl-iodo-dimethyl-λ4-sulfane is sourced from PubChem (CID 134994333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).