(2R,3S)-2,3-dibromothiane 1,1-dioxide

C5H8Br2O2S — CID 13093090

IUPAC(2R,3S)-2,3-dibromothiane 1,1-dioxide
SMILESO=S1(=O)CCC[C@H](Br)[C@H]1Br
InChIInChI=1S/C5H8Br2O2S/c6-4-2-1-3-10(8,9)5(4)7/h4-5H,1-3H2/t4-,5-/m0/s1
InChIKeyQETLPVVQJSCFEJ-WHFBIAKZSA-N
MW291.99 g/mol
LogP1.68
Rot. Bonds

About (2R,3S)-2,3-dibromothiane 1,1-dioxide

(2R,3S)-2,3-dibromothiane 1,1-dioxide (PubChem CID 13093090) has the molecular formula C5H8Br2O2S and a molecular weight of 291.99 g/mol. Its IUPAC name is (2R,3S)-2,3-dibromothiane 1,1-dioxide.

Molecular Properties

Compound Name(2R,3S)-2,3-dibromothiane 1,1-dioxide
PubChem CID13093090
Molecular FormulaC5H8Br2O2S
Molecular Weight291.99 g/mol
Exact Mass289.86
IUPAC Name(2R,3S)-2,3-dibromothiane 1,1-dioxide
SMILESO=S1(=O)CCC[C@H](Br)[C@H]1Br
InChIInChI=1S/C5H8Br2O2S/c6-4-2-1-3-10(8,9)5(4)7/h4-5H,1-3H2/t4-,5-/m0/s1
InChIKeyQETLPVVQJSCFEJ-WHFBIAKZSA-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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Related Compounds

4-bromotetrahydro-2H-thiopyran-1,1-dioxide
CID 61563259
3-bromotetrahydro-2H-thiopyran 1,1-dioxide
CID 63922873
1-Bromo-5-(ethanesulfonyl)pentane
CID 64208737
3-Bromo-1lambda4-thian-1-one
CID 91654527
2,3-Dibromopropyl sulfone
CID 119092697
1,2-Dibromo-3-methylsulfonylpropane
CID 12817184
2,3-Dibromo-2-methyl-1lambda~6~-thiolane-1,1-dione
CID 14090925
2-Bromohexyl bromomethyl sulfone
CID 129748188
trans-1-Bromo-2-(bromomethylsulfonyl)cyclo-hexane
CID 129748354
5-Bromopentyl sulfone
CID 134822120
4-Bromo-2-(bromomethyl)thiane 1,1-dioxide
CID 134934574
(2S)-1,2-dibromo-3-methylsulfonylpropane
CID 5324762

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dibromothiane 1,1-dioxide?
The IUPAC name of (2R,3S)-2,3-dibromothiane 1,1-dioxide (CID 13093090) is (2R,3S)-2,3-dibromothiane 1,1-dioxide.
What is the SMILES notation for (2R,3S)-2,3-dibromothiane 1,1-dioxide?
The canonical SMILES for (2R,3S)-2,3-dibromothiane 1,1-dioxide is O=S1(=O)CCC[C@H](Br)[C@H]1Br.
What is the InChIKey of (2R,3S)-2,3-dibromothiane 1,1-dioxide?
The InChIKey is QETLPVVQJSCFEJ-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H8Br2O2S/c6-4-2-1-3-10(8,9)5(4)7/h4-5H,1-3H2/t4-,5-/m0/s1.
What are the key properties of (2R,3S)-2,3-dibromothiane 1,1-dioxide?
(2R,3S)-2,3-dibromothiane 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 (2R,3S)-2,3-dibromothiane 1,1-dioxide is sourced from PubChem (CID 13093090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).