2,3,3,5-tetramethylthiolane

C8H16S — CID 66729958

IUPAC2,3,3,5-tetramethylthiolane
SMILESCC1CC(C)(C)C(C)S1
InChIInChI=1S/C8H16S/c1-6-5-8(3,4)7(2)9-6/h6-7H,5H2,1-4H3
InChIKeyXNONIRJRMUBHFU-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.93
Rot. Bonds

About 2,3,3,5-tetramethylthiolane

2,3,3,5-tetramethylthiolane (PubChem CID 66729958) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 2,3,3,5-tetramethylthiolane.

Molecular Properties

Compound Name2,3,3,5-tetramethylthiolane
PubChem CID66729958
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name2,3,3,5-tetramethylthiolane
SMILESCC1CC(C)(C)C(C)S1
InChIInChI=1S/C8H16S/c1-6-5-8(3,4)7(2)9-6/h6-7H,5H2,1-4H3
InChIKeyXNONIRJRMUBHFU-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,5-tetramethylthiolane?
The IUPAC name of 2,3,3,5-tetramethylthiolane (CID 66729958) is 2,3,3,5-tetramethylthiolane.
What is the SMILES notation for 2,3,3,5-tetramethylthiolane?
The canonical SMILES for 2,3,3,5-tetramethylthiolane is CC1CC(C)(C)C(C)S1.
What is the InChIKey of 2,3,3,5-tetramethylthiolane?
The InChIKey is XNONIRJRMUBHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-6-5-8(3,4)7(2)9-6/h6-7H,5H2,1-4H3.
What are the key properties of 2,3,3,5-tetramethylthiolane?
2,3,3,5-tetramethylthiolane has a molecular weight of 144.28 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5-tetramethylthiolane is sourced from PubChem (CID 66729958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).