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

C4H6Br2O2S — CID 1403915

IUPAC(2R,3S)-2,3-dibromothiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@H](Br)[C@H]1Br
InChIInChI=1S/C4H6Br2O2S/c5-3-1-2-9(7,8)4(3)6/h3-4H,1-2H2/t3-,4-/m0/s1
InChIKeyIWPCGTXDZACYSU-IMJSIDKUSA-N
MW277.97 g/mol
LogP1.29
Rot. Bonds

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

(2R,3S)-2,3-dibromothiolane 1,1-dioxide (PubChem CID 1403915) has the molecular formula C4H6Br2O2S and a molecular weight of 277.97 g/mol. Its IUPAC name is (2R,3S)-2,3-dibromothiolane 1,1-dioxide.

Molecular Properties

Compound Name(2R,3S)-2,3-dibromothiolane 1,1-dioxide
PubChem CID1403915
Molecular FormulaC4H6Br2O2S
Molecular Weight277.97 g/mol
Exact Mass275.85
IUPAC Name(2R,3S)-2,3-dibromothiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@H](Br)[C@H]1Br
InChIInChI=1S/C4H6Br2O2S/c5-3-1-2-9(7,8)4(3)6/h3-4H,1-2H2/t3-,4-/m0/s1
InChIKeyIWPCGTXDZACYSU-IMJSIDKUSA-N
XLogP1.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.97
LogP ≤ 51.29
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
3,4-Dibromo-3-methyltetrahydrothiophene 1,1-dioxide
CID 5020529
rac-(3R,4R)-3,4-dibromo-1lambda6-thiolane-1,1-dione
CID 2772114
Cgwkqcyampdegc-imjsidkusa-
CID 1269050
3,4-Dibromo-3-chloro-tetrahydro-thiophene 1,1-dioxide
CID 3738051
2,3-Dibromo-4-fluorothiolane 1,1-dioxide
CID 15468464
2,3-Dibromosulfolane
CID 543073
(3S,4R)-3-bromo-4-fluorothiolane 1,1-dioxide
CID 154715411
Dibromosulfolane
CID 71771241
2,3-Dibromopropyl sulfone
CID 119092697
3-Bromo-4-fluoro-1lambda-thiolane-1,1-dione
CID 11600975

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dibromothiolane 1,1-dioxide?
The IUPAC name of (2R,3S)-2,3-dibromothiolane 1,1-dioxide (CID 1403915) is (2R,3S)-2,3-dibromothiolane 1,1-dioxide.
What is the SMILES notation for (2R,3S)-2,3-dibromothiolane 1,1-dioxide?
The canonical SMILES for (2R,3S)-2,3-dibromothiolane 1,1-dioxide is O=S1(=O)CC[C@H](Br)[C@H]1Br.
What is the InChIKey of (2R,3S)-2,3-dibromothiolane 1,1-dioxide?
The InChIKey is IWPCGTXDZACYSU-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H6Br2O2S/c5-3-1-2-9(7,8)4(3)6/h3-4H,1-2H2/t3-,4-/m0/s1.
What are the key properties of (2R,3S)-2,3-dibromothiolane 1,1-dioxide?
(2R,3S)-2,3-dibromothiolane 1,1-dioxide has a molecular weight of 277.97 g/mol, XLogP of 1.29, 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-dibromothiolane 1,1-dioxide is sourced from PubChem (CID 1403915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).