3-tert-butylthiolane 1,1-dioxide

C8H16O2S — CID 20767965

IUPAC3-tert-butylthiolane 1,1-dioxide
SMILESCC(C)(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H16O2S/c1-8(2,3)7-4-5-11(9,10)6-7/h7H,4-6H2,1-3H3
InChIKeyLGIAUUJIWFUSOZ-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.47
Rot. Bonds

About 3-tert-butylthiolane 1,1-dioxide

3-tert-butylthiolane 1,1-dioxide (PubChem CID 20767965) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-tert-butylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-tert-butylthiolane 1,1-dioxide
PubChem CID20767965
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name3-tert-butylthiolane 1,1-dioxide
SMILESCC(C)(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H16O2S/c1-8(2,3)7-4-5-11(9,10)6-7/h7H,4-6H2,1-3H3
InChIKeyLGIAUUJIWFUSOZ-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 3-tert-butylthiolane 1,1-dioxide?
The IUPAC name of 3-tert-butylthiolane 1,1-dioxide (CID 20767965) is 3-tert-butylthiolane 1,1-dioxide.
What is the SMILES notation for 3-tert-butylthiolane 1,1-dioxide?
The canonical SMILES for 3-tert-butylthiolane 1,1-dioxide is CC(C)(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-tert-butylthiolane 1,1-dioxide?
The InChIKey is LGIAUUJIWFUSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-8(2,3)7-4-5-11(9,10)6-7/h7H,4-6H2,1-3H3.
What are the key properties of 3-tert-butylthiolane 1,1-dioxide?
3-tert-butylthiolane 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 3-tert-butylthiolane 1,1-dioxide is sourced from PubChem (CID 20767965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).