2,2,3,4-tetramethylthiolane 1,1-dioxide

C8H16O2S — CID 66729951

IUPAC2,2,3,4-tetramethylthiolane 1,1-dioxide
SMILESCC1CS(=O)(=O)C(C)(C)C1C
InChIInChI=1S/C8H16O2S/c1-6-5-11(9,10)8(3,4)7(6)2/h6-7H,5H2,1-4H3
InChIKeyFSJTWFSFGLPBCL-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.47
Rot. Bonds

About 2,2,3,4-tetramethylthiolane 1,1-dioxide

2,2,3,4-tetramethylthiolane 1,1-dioxide (PubChem CID 66729951) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 2,2,3,4-tetramethylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2,3,4-tetramethylthiolane 1,1-dioxide
PubChem CID66729951
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name2,2,3,4-tetramethylthiolane 1,1-dioxide
SMILESCC1CS(=O)(=O)C(C)(C)C1C
InChIInChI=1S/C8H16O2S/c1-6-5-11(9,10)8(3,4)7(6)2/h6-7H,5H2,1-4H3
InChIKeyFSJTWFSFGLPBCL-UHFFFAOYSA-N
XLogP1.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4-tetramethylthiolane 1,1-dioxide?
The IUPAC name of 2,2,3,4-tetramethylthiolane 1,1-dioxide (CID 66729951) is 2,2,3,4-tetramethylthiolane 1,1-dioxide.
What is the SMILES notation for 2,2,3,4-tetramethylthiolane 1,1-dioxide?
The canonical SMILES for 2,2,3,4-tetramethylthiolane 1,1-dioxide is CC1CS(=O)(=O)C(C)(C)C1C.
What is the InChIKey of 2,2,3,4-tetramethylthiolane 1,1-dioxide?
The InChIKey is FSJTWFSFGLPBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-6-5-11(9,10)8(3,4)7(6)2/h6-7H,5H2,1-4H3.
What are the key properties of 2,2,3,4-tetramethylthiolane 1,1-dioxide?
2,2,3,4-tetramethylthiolane 1,1-dioxide has a molecular weight of 176.28 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 2,2,3,4-tetramethylthiolane 1,1-dioxide is sourced from PubChem (CID 66729951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).