1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide

C6H10O4S2 — CID 87642439

IUPAC1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide
SMILESO=S1(=O)CCCC12CCS2(=O)=O
InChIInChI=1S/C6H10O4S2/c7-11(8)4-1-2-6(11)3-5-12(6,9)10/h1-5H2
InChIKeyUGPXSIBCRYNFMT-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.29
Rot. Bonds

About 1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide

1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide (PubChem CID 87642439) has the molecular formula C6H10O4S2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide.

Molecular Properties

Compound Name1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide
PubChem CID87642439
Molecular FormulaC6H10O4S2
Molecular Weight210.28 g/mol
Exact Mass210.00
IUPAC Name1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide
SMILESO=S1(=O)CCCC12CCS2(=O)=O
InChIInChI=1S/C6H10O4S2/c7-11(8)4-1-2-6(11)3-5-12(6,9)10/h1-5H2
InChIKeyUGPXSIBCRYNFMT-UHFFFAOYSA-N
XLogP-0.29
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 ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide?
The IUPAC name of 1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide (CID 87642439) is 1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide.
What is the SMILES notation for 1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide?
The canonical SMILES for 1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide is O=S1(=O)CCCC12CCS2(=O)=O.
What is the InChIKey of 1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide?
The InChIKey is UGPXSIBCRYNFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S2/c7-11(8)4-1-2-6(11)3-5-12(6,9)10/h1-5H2.
What are the key properties of 1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide?
1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide has a molecular weight of 210.28 g/mol, XLogP of -0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1λ6,8λ6-dithiaspiro[3.4]octane 1,1,8,8-tetraoxide is sourced from PubChem (CID 87642439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).