2,3-dibromo-2-methylthiolane 1,1-dioxide

C5H8Br2O2S — CID 14090925

IUPAC2,3-dibromo-2-methylthiolane 1,1-dioxide
SMILESCC1(Br)C(Br)CCS1(=O)=O
InChIInChI=1S/C5H8Br2O2S/c1-5(7)4(6)2-3-10(5,8)9/h4H,2-3H2,1H3
InChIKeyOTEBCSOFUNDJLU-UHFFFAOYSA-N
MW291.99 g/mol
LogP1.68
Rot. Bonds

About 2,3-dibromo-2-methylthiolane 1,1-dioxide

2,3-dibromo-2-methylthiolane 1,1-dioxide (PubChem CID 14090925) has the molecular formula C5H8Br2O2S and a molecular weight of 291.99 g/mol. Its IUPAC name is 2,3-dibromo-2-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2,3-dibromo-2-methylthiolane 1,1-dioxide
PubChem CID14090925
Molecular FormulaC5H8Br2O2S
Molecular Weight291.99 g/mol
Exact Mass289.86
IUPAC Name2,3-dibromo-2-methylthiolane 1,1-dioxide
SMILESCC1(Br)C(Br)CCS1(=O)=O
InChIInChI=1S/C5H8Br2O2S/c1-5(7)4(6)2-3-10(5,8)9/h4H,2-3H2,1H3
InChIKeyOTEBCSOFUNDJLU-UHFFFAOYSA-N
XLogP1.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.99
LogP ≤ 51.68
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 2,3-dibromo-2-methylthiolane 1,1-dioxide?
The IUPAC name of 2,3-dibromo-2-methylthiolane 1,1-dioxide (CID 14090925) is 2,3-dibromo-2-methylthiolane 1,1-dioxide.
What is the SMILES notation for 2,3-dibromo-2-methylthiolane 1,1-dioxide?
The canonical SMILES for 2,3-dibromo-2-methylthiolane 1,1-dioxide is CC1(Br)C(Br)CCS1(=O)=O.
What is the InChIKey of 2,3-dibromo-2-methylthiolane 1,1-dioxide?
The InChIKey is OTEBCSOFUNDJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2O2S/c1-5(7)4(6)2-3-10(5,8)9/h4H,2-3H2,1H3.
What are the key properties of 2,3-dibromo-2-methylthiolane 1,1-dioxide?
2,3-dibromo-2-methylthiolane 1,1-dioxide has a molecular weight of 291.99 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-2-methylthiolane 1,1-dioxide is sourced from PubChem (CID 14090925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).