5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one

C5H4O3S3 — CID 43827529

IUPAC5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one
SMILESO=c1sc2c(s1)CS(=O)(=O)C2
InChIInChI=1S/C5H4O3S3/c6-5-9-3-1-11(7,8)2-4(3)10-5/h1-2H2
InChIKeyLJWOUSJUIGIGTI-UHFFFAOYSA-N
MW208.28 g/mol
LogP0.60
Rot. Bonds

About 5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one

5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one (PubChem CID 43827529) has the molecular formula C5H4O3S3 and a molecular weight of 208.28 g/mol. Its IUPAC name is 5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one.

Molecular Properties

Compound Name5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one
PubChem CID43827529
Molecular FormulaC5H4O3S3
Molecular Weight208.28 g/mol
Exact Mass207.93
IUPAC Name5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one
SMILESO=c1sc2c(s1)CS(=O)(=O)C2
InChIInChI=1S/C5H4O3S3/c6-5-9-3-1-11(7,8)2-4(3)10-5/h1-2H2
InChIKeyLJWOUSJUIGIGTI-UHFFFAOYSA-N
XLogP0.60
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one?
The IUPAC name of 5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one (CID 43827529) is 5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one.
What is the SMILES notation for 5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one?
The canonical SMILES for 5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one is O=c1sc2c(s1)CS(=O)(=O)C2.
What is the InChIKey of 5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one?
The InChIKey is LJWOUSJUIGIGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O3S3/c6-5-9-3-1-11(7,8)2-4(3)10-5/h1-2H2.
What are the key properties of 5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one?
5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one has a molecular weight of 208.28 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]dithiol-2-one is sourced from PubChem (CID 43827529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).