(3R)-3-bromothiolane 1,1-dioxide

C4H7BrO2S — CID 7059043

IUPAC(3R)-3-bromothiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@@H](Br)C1
InChIInChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2/t4-/m1/s1
InChIKeyIPOKQKBJDASROB-SCSAIBSYSA-N
MW199.07 g/mol
LogP0.57
Rot. Bonds

About (3R)-3-bromothiolane 1,1-dioxide

(3R)-3-bromothiolane 1,1-dioxide (PubChem CID 7059043) has the molecular formula C4H7BrO2S and a molecular weight of 199.07 g/mol. Its IUPAC name is (3R)-3-bromothiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-bromothiolane 1,1-dioxide
PubChem CID7059043
Molecular FormulaC4H7BrO2S
Molecular Weight199.07 g/mol
Exact Mass197.94
IUPAC Name(3R)-3-bromothiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@@H](Br)C1
InChIInChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2/t4-/m1/s1
InChIKeyIPOKQKBJDASROB-SCSAIBSYSA-N
XLogP0.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.07
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3-bromothiolane 1,1-dioxide?
The IUPAC name of (3R)-3-bromothiolane 1,1-dioxide (CID 7059043) is (3R)-3-bromothiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-bromothiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-bromothiolane 1,1-dioxide is O=S1(=O)CC[C@@H](Br)C1.
What is the InChIKey of (3R)-3-bromothiolane 1,1-dioxide?
The InChIKey is IPOKQKBJDASROB-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2/t4-/m1/s1.
What are the key properties of (3R)-3-bromothiolane 1,1-dioxide?
(3R)-3-bromothiolane 1,1-dioxide has a molecular weight of 199.07 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-bromothiolane 1,1-dioxide is sourced from PubChem (CID 7059043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).