1-bromo-2-(2-bromoethylsulfinyl)ethane

C4H8Br2OS — CID 573101

IUPAC1-bromo-2-(2-bromoethylsulfinyl)ethane
SMILESO=S(CCBr)CCBr
InChIInChI=1S/C4H8Br2OS/c5-1-3-8(7)4-2-6/h1-4H2
InChIKeyDRXUQRIPMTVDCS-UHFFFAOYSA-N
MW263.98 g/mol
LogP1.52
Rot. Bonds4

About 1-bromo-2-(2-bromoethylsulfinyl)ethane

1-bromo-2-(2-bromoethylsulfinyl)ethane (PubChem CID 573101) has the molecular formula C4H8Br2OS and a molecular weight of 263.98 g/mol. Its IUPAC name is 1-bromo-2-(2-bromoethylsulfinyl)ethane.

Molecular Properties

Compound Name1-bromo-2-(2-bromoethylsulfinyl)ethane
PubChem CID573101
Molecular FormulaC4H8Br2OS
Molecular Weight263.98 g/mol
Exact Mass261.87
IUPAC Name1-bromo-2-(2-bromoethylsulfinyl)ethane
SMILESO=S(CCBr)CCBr
InChIInChI=1S/C4H8Br2OS/c5-1-3-8(7)4-2-6/h1-4H2
InChIKeyDRXUQRIPMTVDCS-UHFFFAOYSA-N
XLogP1.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.98
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bromo-2-(2-bromoethylsulfinyl)ethane?
The IUPAC name of 1-bromo-2-(2-bromoethylsulfinyl)ethane (CID 573101) is 1-bromo-2-(2-bromoethylsulfinyl)ethane.
What is the SMILES notation for 1-bromo-2-(2-bromoethylsulfinyl)ethane?
The canonical SMILES for 1-bromo-2-(2-bromoethylsulfinyl)ethane is O=S(CCBr)CCBr.
What is the InChIKey of 1-bromo-2-(2-bromoethylsulfinyl)ethane?
The InChIKey is DRXUQRIPMTVDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Br2OS/c5-1-3-8(7)4-2-6/h1-4H2.
What are the key properties of 1-bromo-2-(2-bromoethylsulfinyl)ethane?
1-bromo-2-(2-bromoethylsulfinyl)ethane has a molecular weight of 263.98 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-bromoethylsulfinyl)ethane is sourced from PubChem (CID 573101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).