2-(2-methylpropoxy)thiolane

C8H16OS — CID 15207543

IUPAC2-(2-methylpropoxy)thiolane
SMILESCC(C)COC1CCCS1
InChIInChI=1S/C8H16OS/c1-7(2)6-9-8-4-3-5-10-8/h7-8H,3-6H2,1-2H3
InChIKeyRREJRTKKPSEPOB-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.51
Rot. Bonds3

About 2-(2-methylpropoxy)thiolane

2-(2-methylpropoxy)thiolane (PubChem CID 15207543) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-(2-methylpropoxy)thiolane.

Molecular Properties

Compound Name2-(2-methylpropoxy)thiolane
PubChem CID15207543
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-(2-methylpropoxy)thiolane
SMILESCC(C)COC1CCCS1
InChIInChI=1S/C8H16OS/c1-7(2)6-9-8-4-3-5-10-8/h7-8H,3-6H2,1-2H3
InChIKeyRREJRTKKPSEPOB-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)thiolane?
The IUPAC name of 2-(2-methylpropoxy)thiolane (CID 15207543) is 2-(2-methylpropoxy)thiolane.
What is the SMILES notation for 2-(2-methylpropoxy)thiolane?
The canonical SMILES for 2-(2-methylpropoxy)thiolane is CC(C)COC1CCCS1.
What is the InChIKey of 2-(2-methylpropoxy)thiolane?
The InChIKey is RREJRTKKPSEPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)6-9-8-4-3-5-10-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)thiolane?
2-(2-methylpropoxy)thiolane has a molecular weight of 160.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)thiolane is sourced from PubChem (CID 15207543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).