1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone

C11H18O2S — CID 81452155

IUPAC1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone
SMILESCC1(C(=O)CC2CCCO2)CCCS1
InChIInChI=1S/C11H18O2S/c1-11(5-3-7-14-11)10(12)8-9-4-2-6-13-9/h9H,2-8H2,1H3
InChIKeyPDBDFKKVZVQQKJ-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.41
Rot. Bonds3

About 1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone

1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone (PubChem CID 81452155) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone
PubChem CID81452155
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone
SMILESCC1(C(=O)CC2CCCO2)CCCS1
InChIInChI=1S/C11H18O2S/c1-11(5-3-7-14-11)10(12)8-9-4-2-6-13-9/h9H,2-8H2,1H3
InChIKeyPDBDFKKVZVQQKJ-UHFFFAOYSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone (CID 81452155) is 1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone is CC1(C(=O)CC2CCCO2)CCCS1.
What is the InChIKey of 1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone?
The InChIKey is PDBDFKKVZVQQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-11(5-3-7-14-11)10(12)8-9-4-2-6-13-9/h9H,2-8H2,1H3.
What are the key properties of 1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone?
1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone has a molecular weight of 214.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 81452155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).