2,2-dimethylthiolane 1-oxide

C6H12OS — CID 54564152

IUPAC2,2-dimethylthiolane 1-oxide
SMILESCC1(C)CCCS1=O
InChIInChI=1S/C6H12OS/c1-6(2)4-3-5-8(6)7/h3-5H2,1-2H3
InChIKeyZFDPLGUQXMKJIR-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.31
Rot. Bonds

About 2,2-dimethylthiolane 1-oxide

2,2-dimethylthiolane 1-oxide (PubChem CID 54564152) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2,2-dimethylthiolane 1-oxide.

Molecular Properties

Compound Name2,2-dimethylthiolane 1-oxide
PubChem CID54564152
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2,2-dimethylthiolane 1-oxide
SMILESCC1(C)CCCS1=O
InChIInChI=1S/C6H12OS/c1-6(2)4-3-5-8(6)7/h3-5H2,1-2H3
InChIKeyZFDPLGUQXMKJIR-UHFFFAOYSA-N
XLogP1.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethylthiolane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylthiolane 1-oxide?
The IUPAC name of 2,2-dimethylthiolane 1-oxide (CID 54564152) is 2,2-dimethylthiolane 1-oxide.
What is the SMILES notation for 2,2-dimethylthiolane 1-oxide?
The canonical SMILES for 2,2-dimethylthiolane 1-oxide is CC1(C)CCCS1=O.
What is the InChIKey of 2,2-dimethylthiolane 1-oxide?
The InChIKey is ZFDPLGUQXMKJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-6(2)4-3-5-8(6)7/h3-5H2,1-2H3.
What are the key properties of 2,2-dimethylthiolane 1-oxide?
2,2-dimethylthiolane 1-oxide has a molecular weight of 132.23 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylthiolane 1-oxide is sourced from PubChem (CID 54564152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).