3,4-ditert-butylthiolane 1,1-dioxide

C12H24O2S — CID 20625148

IUPAC3,4-ditert-butylthiolane 1,1-dioxide
SMILESCC(C)(C)C1CS(=O)(=O)CC1C(C)(C)C
InChIInChI=1S/C12H24O2S/c1-11(2,3)9-7-15(13,14)8-10(9)12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyFAWKLBHBBCYAGK-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.74
Rot. Bonds

About 3,4-ditert-butylthiolane 1,1-dioxide

3,4-ditert-butylthiolane 1,1-dioxide (PubChem CID 20625148) has the molecular formula C12H24O2S and a molecular weight of 232.39 g/mol. Its IUPAC name is 3,4-ditert-butylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3,4-ditert-butylthiolane 1,1-dioxide
PubChem CID20625148
Molecular FormulaC12H24O2S
Molecular Weight232.39 g/mol
Exact Mass232.15
IUPAC Name3,4-ditert-butylthiolane 1,1-dioxide
SMILESCC(C)(C)C1CS(=O)(=O)CC1C(C)(C)C
InChIInChI=1S/C12H24O2S/c1-11(2,3)9-7-15(13,14)8-10(9)12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyFAWKLBHBBCYAGK-UHFFFAOYSA-N
XLogP2.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butylthiane 1,1-dioxide
CID 423309
3-Hexyltetrahydrothiophene 1,1-dioxide
CID 543842
3-t-Butylsulfolane
CID 20767965
3,4-Diethyl-3-fluorothiolane 1,1-dioxide
CID 140071370
3-Tert-butyl-3-fluorothiolane 1,1-dioxide
CID 156352650
3-Fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide
CID 169639021
(3S)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide
CID 169639242
(3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide
CID 176600033
3-n-Butylthiolane, S,S-dioxide
CID 543691
3-n-Pentylthiolane, S,S-dioxide
CID 543814
2-Propyl-3-ethyltetramethylene sulfone
CID 129809102
2,4-Diethylthiolane 1,1-dioxide
CID 240319

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butylthiolane 1,1-dioxide?
The IUPAC name of 3,4-ditert-butylthiolane 1,1-dioxide (CID 20625148) is 3,4-ditert-butylthiolane 1,1-dioxide.
What is the SMILES notation for 3,4-ditert-butylthiolane 1,1-dioxide?
The canonical SMILES for 3,4-ditert-butylthiolane 1,1-dioxide is CC(C)(C)C1CS(=O)(=O)CC1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butylthiolane 1,1-dioxide?
The InChIKey is FAWKLBHBBCYAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S/c1-11(2,3)9-7-15(13,14)8-10(9)12(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 3,4-ditert-butylthiolane 1,1-dioxide?
3,4-ditert-butylthiolane 1,1-dioxide has a molecular weight of 232.39 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butylthiolane 1,1-dioxide is sourced from PubChem (CID 20625148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).