3,3,4,4-tetramethylthiolane

C8H16S — CID 14087280

IUPAC3,3,4,4-tetramethylthiolane
SMILESCC1(C)CSCC1(C)C
InChIInChI=1S/C8H16S/c1-7(2)5-9-6-8(7,3)4/h5-6H2,1-4H3
InChIKeyCDFSOTCMIXZQCW-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.79
Rot. Bonds

About 3,3,4,4-tetramethylthiolane

3,3,4,4-tetramethylthiolane (PubChem CID 14087280) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 3,3,4,4-tetramethylthiolane.

Molecular Properties

Compound Name3,3,4,4-tetramethylthiolane
PubChem CID14087280
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name3,3,4,4-tetramethylthiolane
SMILESCC1(C)CSCC1(C)C
InChIInChI=1S/C8H16S/c1-7(2)5-9-6-8(7,3)4/h5-6H2,1-4H3
InChIKeyCDFSOTCMIXZQCW-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethylthiolane?
The IUPAC name of 3,3,4,4-tetramethylthiolane (CID 14087280) is 3,3,4,4-tetramethylthiolane.
What is the SMILES notation for 3,3,4,4-tetramethylthiolane?
The canonical SMILES for 3,3,4,4-tetramethylthiolane is CC1(C)CSCC1(C)C.
What is the InChIKey of 3,3,4,4-tetramethylthiolane?
The InChIKey is CDFSOTCMIXZQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-7(2)5-9-6-8(7,3)4/h5-6H2,1-4H3.
What are the key properties of 3,3,4,4-tetramethylthiolane?
3,3,4,4-tetramethylthiolane has a molecular weight of 144.28 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethylthiolane is sourced from PubChem (CID 14087280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).