2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide

C6H10O4S2 — CID 91525316

IUPAC2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide
SMILESO=S1(=O)CCCC2CS(=O)(=O)C21
InChIInChI=1S/C6H10O4S2/c7-11(8)3-1-2-5-4-12(9,10)6(5)11/h5-6H,1-4H2
InChIKeyOLHSHBZNESPOKN-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.43
Rot. Bonds

About 2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide

2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide (PubChem CID 91525316) has the molecular formula C6H10O4S2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide.

Molecular Properties

Compound Name2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide
PubChem CID91525316
Molecular FormulaC6H10O4S2
Molecular Weight210.28 g/mol
Exact Mass210.00
IUPAC Name2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide
SMILESO=S1(=O)CCCC2CS(=O)(=O)C21
InChIInChI=1S/C6H10O4S2/c7-11(8)3-1-2-5-4-12(9,10)6(5)11/h5-6H,1-4H2
InChIKeyOLHSHBZNESPOKN-UHFFFAOYSA-N
XLogP-0.43
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81038601
(1,1-dioxothiolan-2-yl)methanamine
CID 55289628
N-[(1,1-dioxothiolan-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 81039030
N-[(1,1-dioxothiolan-2-yl)methyl]ethanamine
CID 81039627
2-fluorothiolane 1,1-dioxide;3-fluorothiolane 1,1-dioxide
CID 175151534
(1,1-dioxothian-3-yl)-methylazanide
CID 155624716
ethyl N-[(1,1-dioxothiolan-2-yl)methyl]carbamate
CID 81046471
N-(1,1-dioxothiolan-2-yl)oxymethanamine
CID 117126714
2-propa-1,2-dienylthiolane 1,1-dioxide
CID 175330823
N-[(1,1-dioxothiolan-2-yl)methyl]prop-2-en-1-amine
CID 81039342
2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine
CID 117104721
2-(isocyanomethyl)thiane 1,1-dioxide
CID 117103151

Frequently Asked Questions

What is the IUPAC name of 2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide?
The IUPAC name of 2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide (CID 91525316) is 2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide.
What is the SMILES notation for 2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide?
The canonical SMILES for 2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide is O=S1(=O)CCCC2CS(=O)(=O)C21.
What is the InChIKey of 2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide?
The InChIKey is OLHSHBZNESPOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S2/c7-11(8)3-1-2-5-4-12(9,10)6(5)11/h5-6H,1-4H2.
What are the key properties of 2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide?
2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide has a molecular weight of 210.28 g/mol, XLogP of -0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2λ6,8λ6-dithiabicyclo[4.2.0]octane 2,2,8,8-tetraoxide is sourced from PubChem (CID 91525316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).