(3R,4R)-3,4-dibromothiolane

C4H6Br2S — CID 70120921

IUPAC(3R,4R)-3,4-dibromothiolane
SMILESBr[C@@H]1CSC[C@H]1Br
InChIInChI=1S/C4H6Br2S/c5-3-1-7-2-4(3)6/h3-4H,1-2H2/t3-,4-/m1/s1
InChIKeyGLWOMQDLTCKUSP-QWWZWVQMSA-N
MW245.97 g/mol
LogP2.26
Rot. Bonds

About (3R,4R)-3,4-dibromothiolane

(3R,4R)-3,4-dibromothiolane (PubChem CID 70120921) has the molecular formula C4H6Br2S and a molecular weight of 245.97 g/mol. Its IUPAC name is (3R,4R)-3,4-dibromothiolane.

Molecular Properties

Compound Name(3R,4R)-3,4-dibromothiolane
PubChem CID70120921
Molecular FormulaC4H6Br2S
Molecular Weight245.97 g/mol
Exact Mass243.86
IUPAC Name(3R,4R)-3,4-dibromothiolane
SMILESBr[C@@H]1CSC[C@H]1Br
InChIInChI=1S/C4H6Br2S/c5-3-1-7-2-4(3)6/h3-4H,1-2H2/t3-,4-/m1/s1
InChIKeyGLWOMQDLTCKUSP-QWWZWVQMSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.97
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3R,4R)-3,4-dibromothiolane?
The IUPAC name of (3R,4R)-3,4-dibromothiolane (CID 70120921) is (3R,4R)-3,4-dibromothiolane.
What is the SMILES notation for (3R,4R)-3,4-dibromothiolane?
The canonical SMILES for (3R,4R)-3,4-dibromothiolane is Br[C@@H]1CSC[C@H]1Br.
What is the InChIKey of (3R,4R)-3,4-dibromothiolane?
The InChIKey is GLWOMQDLTCKUSP-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H6Br2S/c5-3-1-7-2-4(3)6/h3-4H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (3R,4R)-3,4-dibromothiolane?
(3R,4R)-3,4-dibromothiolane has a molecular weight of 245.97 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dibromothiolane is sourced from PubChem (CID 70120921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).