2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide

C6H4O5S2 — CID 613180

IUPAC2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide
SMILESO=S1(=O)OS(=O)(=O)c2ccccc21
InChIInChI=1S/C6H4O5S2/c7-12(8)5-3-1-2-4-6(5)13(9,10)11-12/h1-4H
InChIKeyQTLDNGFPYAWPLR-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.09
Rot. Bonds

About 2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide

2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide (PubChem CID 613180) has the molecular formula C6H4O5S2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide
PubChem CID613180
Molecular FormulaC6H4O5S2
Molecular Weight220.23 g/mol
Exact Mass219.95
IUPAC Name2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide
SMILESO=S1(=O)OS(=O)(=O)c2ccccc21
InChIInChI=1S/C6H4O5S2/c7-12(8)5-3-1-2-4-6(5)13(9,10)11-12/h1-4H
InChIKeyQTLDNGFPYAWPLR-UHFFFAOYSA-N
XLogP0.09
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide?
The IUPAC name of 2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide (CID 613180) is 2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide.
What is the SMILES notation for 2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide?
The canonical SMILES for 2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide is O=S1(=O)OS(=O)(=O)c2ccccc21.
What is the InChIKey of 2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide?
The InChIKey is QTLDNGFPYAWPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O5S2/c7-12(8)5-3-1-2-4-6(5)13(9,10)11-12/h1-4H.
What are the key properties of 2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide?
2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide has a molecular weight of 220.23 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide is sourced from PubChem (CID 613180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).