2,5-bis(bromomethyl)thiolane 1,1-dioxide

C6H10Br2O2S — CID 73073732

IUPAC2,5-bis(bromomethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)C(CBr)CCC1CBr
InChIInChI=1S/C6H10Br2O2S/c7-3-5-1-2-6(4-8)11(5,9)10/h5-6H,1-4H2
InChIKeyMMFLTMWJTGLDBE-UHFFFAOYSA-N
MW306.02 g/mol
LogP1.72
Rot. Bonds2

About 2,5-bis(bromomethyl)thiolane 1,1-dioxide

2,5-bis(bromomethyl)thiolane 1,1-dioxide (PubChem CID 73073732) has the molecular formula C6H10Br2O2S and a molecular weight of 306.02 g/mol. Its IUPAC name is 2,5-bis(bromomethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,5-bis(bromomethyl)thiolane 1,1-dioxide
PubChem CID73073732
Molecular FormulaC6H10Br2O2S
Molecular Weight306.02 g/mol
Exact Mass303.88
IUPAC Name2,5-bis(bromomethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)C(CBr)CCC1CBr
InChIInChI=1S/C6H10Br2O2S/c7-3-5-1-2-6(4-8)11(5,9)10/h5-6H,1-4H2
InChIKeyMMFLTMWJTGLDBE-UHFFFAOYSA-N
XLogP1.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.02
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiophene, 3,4-dibromotetrahydro-, 1,1-dioxide
CID 85797
3-Bromotetrahydrothiophene 1,1-dioxide
CID 95637
rac-(3R,4R)-3,4-dibromo-1lambda6-thiolane-1,1-dione
CID 2772114
Cgwkqcyampdegc-imjsidkusa-
CID 1269050
2,3-Dibromosulfolane
CID 543073
1-Bromo-5-(ethanesulfonyl)pentane
CID 64208737
Dibromosulfolane
CID 71771241
2,3-Dibromo-2-methyl-1lambda~6~-thiolane-1,1-dione
CID 14090925
2-Bromohexyl bromomethyl sulfone
CID 129748188
5-Bromopentyl sulfone
CID 134822120
4-Bromo-2-(bromomethyl)thiane 1,1-dioxide
CID 134934574
2-Bromothiolane 1,1-dioxide
CID 12602730

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(bromomethyl)thiolane 1,1-dioxide?
The IUPAC name of 2,5-bis(bromomethyl)thiolane 1,1-dioxide (CID 73073732) is 2,5-bis(bromomethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2,5-bis(bromomethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2,5-bis(bromomethyl)thiolane 1,1-dioxide is O=S1(=O)C(CBr)CCC1CBr.
What is the InChIKey of 2,5-bis(bromomethyl)thiolane 1,1-dioxide?
The InChIKey is MMFLTMWJTGLDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2O2S/c7-3-5-1-2-6(4-8)11(5,9)10/h5-6H,1-4H2.
What are the key properties of 2,5-bis(bromomethyl)thiolane 1,1-dioxide?
2,5-bis(bromomethyl)thiolane 1,1-dioxide has a molecular weight of 306.02 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(bromomethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 73073732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).