1,1-dioxothiolan-3-one

C4H6O3S — CID 5150067

IUPAC1,1-dioxothiolan-3-one
SMILESO=C1CCS(=O)(=O)C1
InChIInChI=1S/C4H6O3S/c5-4-1-2-8(6,7)3-4/h1-3H2
InChIKeyUOEHJNULMZMQNM-UHFFFAOYSA-N
MW134.16 g/mol
LogP-0.63
Rot. Bonds

About 1,1-dioxothiolan-3-one

1,1-dioxothiolan-3-one (PubChem CID 5150067) has the molecular formula C4H6O3S and a molecular weight of 134.16 g/mol. Its IUPAC name is 1,1-dioxothiolan-3-one.

Molecular Properties

Compound Name1,1-dioxothiolan-3-one
PubChem CID5150067
Molecular FormulaC4H6O3S
Molecular Weight134.16 g/mol
Exact Mass134.00
IUPAC Name1,1-dioxothiolan-3-one
SMILESO=C1CCS(=O)(=O)C1
InChIInChI=1S/C4H6O3S/c5-4-1-2-8(6,7)3-4/h1-3H2
InChIKeyUOEHJNULMZMQNM-UHFFFAOYSA-N
XLogP-0.63
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothiolan-3-one?
The IUPAC name of 1,1-dioxothiolan-3-one (CID 5150067) is 1,1-dioxothiolan-3-one.
What is the SMILES notation for 1,1-dioxothiolan-3-one?
The canonical SMILES for 1,1-dioxothiolan-3-one is O=C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxothiolan-3-one?
The InChIKey is UOEHJNULMZMQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3S/c5-4-1-2-8(6,7)3-4/h1-3H2.
What are the key properties of 1,1-dioxothiolan-3-one?
1,1-dioxothiolan-3-one has a molecular weight of 134.16 g/mol, XLogP of -0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxothiolan-3-one is sourced from PubChem (CID 5150067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).