5,5-dimethyl-1,1-dioxothiolan-3-one

C6H10O3S — CID 22982776

IUPAC5,5-dimethyl-1,1-dioxothiolan-3-one
SMILESCC1(C)CC(=O)CS1(=O)=O
InChIInChI=1S/C6H10O3S/c1-6(2)3-5(7)4-10(6,8)9/h3-4H2,1-2H3
InChIKeyXYLBJACHUUGMOB-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.15
Rot. Bonds

About 5,5-dimethyl-1,1-dioxothiolan-3-one

5,5-dimethyl-1,1-dioxothiolan-3-one (PubChem CID 22982776) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 5,5-dimethyl-1,1-dioxothiolan-3-one.

Molecular Properties

Compound Name5,5-dimethyl-1,1-dioxothiolan-3-one
PubChem CID22982776
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name5,5-dimethyl-1,1-dioxothiolan-3-one
SMILESCC1(C)CC(=O)CS1(=O)=O
InChIInChI=1S/C6H10O3S/c1-6(2)3-5(7)4-10(6,8)9/h3-4H2,1-2H3
InChIKeyXYLBJACHUUGMOB-UHFFFAOYSA-N
XLogP0.15
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,1-dioxothiolan-3-one?
The IUPAC name of 5,5-dimethyl-1,1-dioxothiolan-3-one (CID 22982776) is 5,5-dimethyl-1,1-dioxothiolan-3-one.
What is the SMILES notation for 5,5-dimethyl-1,1-dioxothiolan-3-one?
The canonical SMILES for 5,5-dimethyl-1,1-dioxothiolan-3-one is CC1(C)CC(=O)CS1(=O)=O.
What is the InChIKey of 5,5-dimethyl-1,1-dioxothiolan-3-one?
The InChIKey is XYLBJACHUUGMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-6(2)3-5(7)4-10(6,8)9/h3-4H2,1-2H3.
What are the key properties of 5,5-dimethyl-1,1-dioxothiolan-3-one?
5,5-dimethyl-1,1-dioxothiolan-3-one has a molecular weight of 162.21 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,1-dioxothiolan-3-one is sourced from PubChem (CID 22982776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).