thiolan-2-yl acetate

C6H10O2S — CID 12848680

IUPACthiolan-2-yl acetate
SMILESCC(=O)OC1CCCS1
InChIInChI=1S/C6H10O2S/c1-5(7)8-6-3-2-4-9-6/h6H,2-4H2,1H3
InChIKeyIFEXAEIVIOYZDX-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.40
Rot. Bonds1

About thiolan-2-yl acetate

thiolan-2-yl acetate (PubChem CID 12848680) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is thiolan-2-yl acetate.

Molecular Properties

Compound Namethiolan-2-yl acetate
PubChem CID12848680
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Namethiolan-2-yl acetate
SMILESCC(=O)OC1CCCS1
InChIInChI=1S/C6H10O2S/c1-5(7)8-6-3-2-4-9-6/h6H,2-4H2,1H3
InChIKeyIFEXAEIVIOYZDX-UHFFFAOYSA-N
XLogP1.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiolan-2-yl acetate?
The IUPAC name of thiolan-2-yl acetate (CID 12848680) is thiolan-2-yl acetate.
What is the SMILES notation for thiolan-2-yl acetate?
The canonical SMILES for thiolan-2-yl acetate is CC(=O)OC1CCCS1.
What is the InChIKey of thiolan-2-yl acetate?
The InChIKey is IFEXAEIVIOYZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-5(7)8-6-3-2-4-9-6/h6H,2-4H2,1H3.
What are the key properties of thiolan-2-yl acetate?
thiolan-2-yl acetate has a molecular weight of 146.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-2-yl acetate is sourced from PubChem (CID 12848680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).