(2S)-2-bromothiolane 1-oxide

C4H7BrOS — CID 130979840

IUPAC(2S)-2-bromothiolane 1-oxide
SMILESO=S1CCC[C@@H]1Br
InChIInChI=1S/C4H7BrOS/c5-4-2-1-3-7(4)6/h4H,1-3H2/t4-,7?/m1/s1
InChIKeyXGIMZOBLXIEVEV-AWGJQOPUSA-N
MW183.07 g/mol
LogP1.25
Rot. Bonds

About (2S)-2-bromothiolane 1-oxide

(2S)-2-bromothiolane 1-oxide (PubChem CID 130979840) has the molecular formula C4H7BrOS and a molecular weight of 183.07 g/mol. Its IUPAC name is (2S)-2-bromothiolane 1-oxide.

Molecular Properties

Compound Name(2S)-2-bromothiolane 1-oxide
PubChem CID130979840
Molecular FormulaC4H7BrOS
Molecular Weight183.07 g/mol
Exact Mass181.94
IUPAC Name(2S)-2-bromothiolane 1-oxide
SMILESO=S1CCC[C@@H]1Br
InChIInChI=1S/C4H7BrOS/c5-4-2-1-3-7(4)6/h4H,1-3H2/t4-,7?/m1/s1
InChIKeyXGIMZOBLXIEVEV-AWGJQOPUSA-N
XLogP1.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.07
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-Bromotetrahydrothiophene 1,1-dioxide
CID 95637
1-Bromo-3-ethylsulfinylpropane
CID 129923554
1-Bromo-3-propan-2-ylsulfinylpropane
CID 129986430
1-Bromo-3-propylsulfinylpropane
CID 129986431
1-Bromo-4-propan-2-ylsulfinylbutane
CID 134927699
1-Bromo-4-ethylsulfinylbutane
CID 134928730
1-Bromo-4-propylsulfinylbutane
CID 134995292
2-Bromothiolane 1,1-dioxide
CID 12602730
3-Bromothiolane 1-oxide
CID 14254247
2-Bromothiolane
CID 21117092
2-(2-Bromoethyl)thiolane 1-oxide
CID 140472753
(3S)-3-bromo-1lambda6-thiolane-1,1-dione
CID 7059042

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromothiolane 1-oxide?
The IUPAC name of (2S)-2-bromothiolane 1-oxide (CID 130979840) is (2S)-2-bromothiolane 1-oxide.
What is the SMILES notation for (2S)-2-bromothiolane 1-oxide?
The canonical SMILES for (2S)-2-bromothiolane 1-oxide is O=S1CCC[C@@H]1Br.
What is the InChIKey of (2S)-2-bromothiolane 1-oxide?
The InChIKey is XGIMZOBLXIEVEV-AWGJQOPUSA-N. The full InChI is InChI=1S/C4H7BrOS/c5-4-2-1-3-7(4)6/h4H,1-3H2/t4-,7?/m1/s1.
What are the key properties of (2S)-2-bromothiolane 1-oxide?
(2S)-2-bromothiolane 1-oxide has a molecular weight of 183.07 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromothiolane 1-oxide is sourced from PubChem (CID 130979840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).