2,4-dimethylthiolane 1,1-dioxide;ethane

C8H18O2S — CID 145064639

IUPAC2,4-dimethylthiolane 1,1-dioxide;ethane
SMILESCC.CC1CC(C)S(=O)(=O)C1
InChIInChI=1S/C6H12O2S.C2H6/c1-5-3-6(2)9(7,8)4-5;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeySNUOVUBCSLCDTL-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.86
Rot. Bonds

About 2,4-dimethylthiolane 1,1-dioxide;ethane

2,4-dimethylthiolane 1,1-dioxide;ethane (PubChem CID 145064639) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2,4-dimethylthiolane 1,1-dioxide;ethane.

Molecular Properties

Compound Name2,4-dimethylthiolane 1,1-dioxide;ethane
PubChem CID145064639
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name2,4-dimethylthiolane 1,1-dioxide;ethane
SMILESCC.CC1CC(C)S(=O)(=O)C1
InChIInChI=1S/C6H12O2S.C2H6/c1-5-3-6(2)9(7,8)4-5;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeySNUOVUBCSLCDTL-UHFFFAOYSA-N
XLogP1.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylthiolane 1,1-dioxide;ethane?
The IUPAC name of 2,4-dimethylthiolane 1,1-dioxide;ethane (CID 145064639) is 2,4-dimethylthiolane 1,1-dioxide;ethane.
What is the SMILES notation for 2,4-dimethylthiolane 1,1-dioxide;ethane?
The canonical SMILES for 2,4-dimethylthiolane 1,1-dioxide;ethane is CC.CC1CC(C)S(=O)(=O)C1.
What is the InChIKey of 2,4-dimethylthiolane 1,1-dioxide;ethane?
The InChIKey is SNUOVUBCSLCDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S.C2H6/c1-5-3-6(2)9(7,8)4-5;1-2/h5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of 2,4-dimethylthiolane 1,1-dioxide;ethane?
2,4-dimethylthiolane 1,1-dioxide;ethane has a molecular weight of 178.30 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylthiolane 1,1-dioxide;ethane is sourced from PubChem (CID 145064639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).