1,1,3,3-tetraoxo-1,3-dithiocan-5-one

C6H10O5S2 — CID 13115090

IUPAC1,1,3,3-tetraoxo-1,3-dithiocan-5-one
SMILESO=C1CCCS(=O)(=O)CS(=O)(=O)C1
InChIInChI=1S/C6H10O5S2/c7-6-2-1-3-12(8,9)5-13(10,11)4-6/h1-5H2
InChIKeyUPVNOIGASRDQCA-UHFFFAOYSA-N
MW226.27 g/mol
LogP-0.86
Rot. Bonds

About 1,1,3,3-tetraoxo-1,3-dithiocan-5-one

1,1,3,3-tetraoxo-1,3-dithiocan-5-one (PubChem CID 13115090) has the molecular formula C6H10O5S2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1,1,3,3-tetraoxo-1,3-dithiocan-5-one.

Molecular Properties

Compound Name1,1,3,3-tetraoxo-1,3-dithiocan-5-one
PubChem CID13115090
Molecular FormulaC6H10O5S2
Molecular Weight226.27 g/mol
Exact Mass226.00
IUPAC Name1,1,3,3-tetraoxo-1,3-dithiocan-5-one
SMILESO=C1CCCS(=O)(=O)CS(=O)(=O)C1
InChIInChI=1S/C6H10O5S2/c7-6-2-1-3-12(8,9)5-13(10,11)4-6/h1-5H2
InChIKeyUPVNOIGASRDQCA-UHFFFAOYSA-N
XLogP-0.86
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetraoxo-1,3-dithiocan-5-one?
The IUPAC name of 1,1,3,3-tetraoxo-1,3-dithiocan-5-one (CID 13115090) is 1,1,3,3-tetraoxo-1,3-dithiocan-5-one.
What is the SMILES notation for 1,1,3,3-tetraoxo-1,3-dithiocan-5-one?
The canonical SMILES for 1,1,3,3-tetraoxo-1,3-dithiocan-5-one is O=C1CCCS(=O)(=O)CS(=O)(=O)C1.
What is the InChIKey of 1,1,3,3-tetraoxo-1,3-dithiocan-5-one?
The InChIKey is UPVNOIGASRDQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S2/c7-6-2-1-3-12(8,9)5-13(10,11)4-6/h1-5H2.
What are the key properties of 1,1,3,3-tetraoxo-1,3-dithiocan-5-one?
1,1,3,3-tetraoxo-1,3-dithiocan-5-one has a molecular weight of 226.27 g/mol, XLogP of -0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetraoxo-1,3-dithiocan-5-one is sourced from PubChem (CID 13115090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).