2,2-dimethylthiolane 1,1-dioxide

C6H12O2S — CID 22262471

IUPAC2,2-dimethylthiolane 1,1-dioxide
SMILESCC1(C)CCCS1(=O)=O
InChIInChI=1S/C6H12O2S/c1-6(2)4-3-5-9(6,7)8/h3-5H2,1-2H3
InChIKeyKBLZUSCEBGBILB-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.97
Rot. Bonds

About 2,2-dimethylthiolane 1,1-dioxide

2,2-dimethylthiolane 1,1-dioxide (PubChem CID 22262471) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2,2-dimethylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2-dimethylthiolane 1,1-dioxide
PubChem CID22262471
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2,2-dimethylthiolane 1,1-dioxide
SMILESCC1(C)CCCS1(=O)=O
InChIInChI=1S/C6H12O2S/c1-6(2)4-3-5-9(6,7)8/h3-5H2,1-2H3
InChIKeyKBLZUSCEBGBILB-UHFFFAOYSA-N
XLogP0.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylthiolane 1,1-dioxide?
The IUPAC name of 2,2-dimethylthiolane 1,1-dioxide (CID 22262471) is 2,2-dimethylthiolane 1,1-dioxide.
What is the SMILES notation for 2,2-dimethylthiolane 1,1-dioxide?
The canonical SMILES for 2,2-dimethylthiolane 1,1-dioxide is CC1(C)CCCS1(=O)=O.
What is the InChIKey of 2,2-dimethylthiolane 1,1-dioxide?
The InChIKey is KBLZUSCEBGBILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-6(2)4-3-5-9(6,7)8/h3-5H2,1-2H3.
What are the key properties of 2,2-dimethylthiolane 1,1-dioxide?
2,2-dimethylthiolane 1,1-dioxide has a molecular weight of 148.23 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylthiolane 1,1-dioxide is sourced from PubChem (CID 22262471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).