5,5-dimethylthiolan-3-one

C6H10OS — CID 22982778

IUPAC5,5-dimethylthiolan-3-one
SMILESCC1(C)CC(=O)CS1
InChIInChI=1S/C6H10OS/c1-6(2)3-5(7)4-8-6/h3-4H2,1-2H3
InChIKeyGXWNDIVHXHDXLJ-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.47
Rot. Bonds

About 5,5-dimethylthiolan-3-one

5,5-dimethylthiolan-3-one (PubChem CID 22982778) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 5,5-dimethylthiolan-3-one.

Molecular Properties

Compound Name5,5-dimethylthiolan-3-one
PubChem CID22982778
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name5,5-dimethylthiolan-3-one
SMILESCC1(C)CC(=O)CS1
InChIInChI=1S/C6H10OS/c1-6(2)3-5(7)4-8-6/h3-4H2,1-2H3
InChIKeyGXWNDIVHXHDXLJ-UHFFFAOYSA-N
XLogP1.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylthiolan-3-one?
The IUPAC name of 5,5-dimethylthiolan-3-one (CID 22982778) is 5,5-dimethylthiolan-3-one.
What is the SMILES notation for 5,5-dimethylthiolan-3-one?
The canonical SMILES for 5,5-dimethylthiolan-3-one is CC1(C)CC(=O)CS1.
What is the InChIKey of 5,5-dimethylthiolan-3-one?
The InChIKey is GXWNDIVHXHDXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-6(2)3-5(7)4-8-6/h3-4H2,1-2H3.
What are the key properties of 5,5-dimethylthiolan-3-one?
5,5-dimethylthiolan-3-one has a molecular weight of 130.21 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylthiolan-3-one is sourced from PubChem (CID 22982778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).