4-bromo-2-(bromomethyl)thiane 1,1-dioxide

C6H10Br2O2S — CID 134934574

IUPAC4-bromo-2-(bromomethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(Br)CC1CBr
InChIInChI=1S/C6H10Br2O2S/c7-4-6-3-5(8)1-2-11(6,9)10/h5-6H,1-4H2
InChIKeyWXNXFMXFDFCWAY-UHFFFAOYSA-N
MW306.02 g/mol
LogP1.72
Rot. Bonds1

About 4-bromo-2-(bromomethyl)thiane 1,1-dioxide

4-bromo-2-(bromomethyl)thiane 1,1-dioxide (PubChem CID 134934574) has the molecular formula C6H10Br2O2S and a molecular weight of 306.02 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)thiane 1,1-dioxide
PubChem CID134934574
Molecular FormulaC6H10Br2O2S
Molecular Weight306.02 g/mol
Exact Mass303.88
IUPAC Name4-bromo-2-(bromomethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(Br)CC1CBr
InChIInChI=1S/C6H10Br2O2S/c7-4-6-3-5(8)1-2-11(6,9)10/h5-6H,1-4H2
InChIKeyWXNXFMXFDFCWAY-UHFFFAOYSA-N
XLogP1.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

4-bromotetrahydro-2H-thiopyran-1,1-dioxide
CID 61563259
3-bromotetrahydro-2H-thiopyran 1,1-dioxide
CID 63922873
3-Bromo-1lambda4-thian-1-one
CID 91654527
2,3-Dibromopropyl sulfone
CID 119092697
2,5-Bis(bromomethyl)thiolane 1,1-dioxide
CID 73073732
2-Bromohexyl bromomethyl sulfone
CID 129748188
trans-1-Bromo-2-(bromomethylsulfonyl)cyclo-hexane
CID 129748354
3-Bromo-4-(bromomethylsulfonyl)hexane
CID 13172728
2-Bromo-1-(1-bromoethylsulfonyl)hexane
CID 13657295
1-Bromo-2-(bromomethylsulfonyl)cyclohexane
CID 20240629
2-Bromo-1-(bromomethylsulfonyl)pentane
CID 20240638
1-Bromo-3-(3-bromopropylsulfonyl)propane
CID 87410641

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(bromomethyl)thiane 1,1-dioxide?
The IUPAC name of 4-bromo-2-(bromomethyl)thiane 1,1-dioxide (CID 134934574) is 4-bromo-2-(bromomethyl)thiane 1,1-dioxide.
What is the SMILES notation for 4-bromo-2-(bromomethyl)thiane 1,1-dioxide?
The canonical SMILES for 4-bromo-2-(bromomethyl)thiane 1,1-dioxide is O=S1(=O)CCC(Br)CC1CBr.
What is the InChIKey of 4-bromo-2-(bromomethyl)thiane 1,1-dioxide?
The InChIKey is WXNXFMXFDFCWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2O2S/c7-4-6-3-5(8)1-2-11(6,9)10/h5-6H,1-4H2.
What are the key properties of 4-bromo-2-(bromomethyl)thiane 1,1-dioxide?
4-bromo-2-(bromomethyl)thiane 1,1-dioxide has a molecular weight of 306.02 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(bromomethyl)thiane 1,1-dioxide is sourced from PubChem (CID 134934574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).