2-(2-methylbutan-2-yl)thiolane

C9H18S — CID 118485404

IUPAC2-(2-methylbutan-2-yl)thiolane
SMILESCCC(C)(C)C1CCCS1
InChIInChI=1S/C9H18S/c1-4-9(2,3)8-6-5-7-10-8/h8H,4-7H2,1-3H3
InChIKeyUWNURTKMTPIESC-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.32
Rot. Bonds2

About 2-(2-methylbutan-2-yl)thiolane

2-(2-methylbutan-2-yl)thiolane (PubChem CID 118485404) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)thiolane.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)thiolane
PubChem CID118485404
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name2-(2-methylbutan-2-yl)thiolane
SMILESCCC(C)(C)C1CCCS1
InChIInChI=1S/C9H18S/c1-4-9(2,3)8-6-5-7-10-8/h8H,4-7H2,1-3H3
InChIKeyUWNURTKMTPIESC-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)thiolane?
The IUPAC name of 2-(2-methylbutan-2-yl)thiolane (CID 118485404) is 2-(2-methylbutan-2-yl)thiolane.
What is the SMILES notation for 2-(2-methylbutan-2-yl)thiolane?
The canonical SMILES for 2-(2-methylbutan-2-yl)thiolane is CCC(C)(C)C1CCCS1.
What is the InChIKey of 2-(2-methylbutan-2-yl)thiolane?
The InChIKey is UWNURTKMTPIESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-4-9(2,3)8-6-5-7-10-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)thiolane?
2-(2-methylbutan-2-yl)thiolane has a molecular weight of 158.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)thiolane is sourced from PubChem (CID 118485404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).