2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide

C3H4O2S — CID 155092335

IUPAC2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide
SMILESO=S1(=O)C2CC21
InChIInChI=1S/C3H4O2S/c4-6(5)2-1-3(2)6/h2-3H,1H2
InChIKeyGULIQVHRHKDACO-UHFFFAOYSA-N
MW104.13 g/mol
LogP-0.44
Rot. Bonds

About 2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide

2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide (PubChem CID 155092335) has the molecular formula C3H4O2S and a molecular weight of 104.13 g/mol. Its IUPAC name is 2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide.

Molecular Properties

Compound Name2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide
PubChem CID155092335
Molecular FormulaC3H4O2S
Molecular Weight104.13 g/mol
Exact Mass103.99
IUPAC Name2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide
SMILESO=S1(=O)C2CC21
InChIInChI=1S/C3H4O2S/c4-6(5)2-1-3(2)6/h2-3H,1H2
InChIKeyGULIQVHRHKDACO-UHFFFAOYSA-N
XLogP-0.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3λ6-thiatricyclo[3.2.1.02,4]octane 3,3-dioxide
CID 54309768
8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide
CID 177255740
(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide
CID 11116105
9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171951267
9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine
CID 171951254
(1R,2R,5R)-2-chloro-8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide
CID 98163053
2,5-difluoro-3-methylthiolane 1,1-dioxide
CID 66730119
2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide
CID 67425968
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine
CID 126838699
3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride
CID 170907548
(1S,2R,3R,6R)-2,3-dibromo-9λ6-thiabicyclo[4.2.1]nonane 9,9-dioxide
CID 98555363
(1S,2S,5S)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-2-ol
CID 99952895

Frequently Asked Questions

What is the IUPAC name of 2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide?
The IUPAC name of 2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide (CID 155092335) is 2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide.
What is the SMILES notation for 2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide?
The canonical SMILES for 2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide is O=S1(=O)C2CC21.
What is the InChIKey of 2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide?
The InChIKey is GULIQVHRHKDACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2S/c4-6(5)2-1-3(2)6/h2-3H,1H2.
What are the key properties of 2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide?
2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide has a molecular weight of 104.13 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide is sourced from PubChem (CID 155092335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).