2-ethoxythiolane

C6H12OS — CID 11062431

IUPAC2-ethoxythiolane
SMILESCCOC1CCCS1
InChIInChI=1S/C6H12OS/c1-2-7-6-4-3-5-8-6/h6H,2-5H2,1H3
InChIKeyBGXXMGGFQQXLTH-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.88
Rot. Bonds2

About 2-ethoxythiolane

2-ethoxythiolane (PubChem CID 11062431) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-ethoxythiolane.

Molecular Properties

Compound Name2-ethoxythiolane
PubChem CID11062431
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-ethoxythiolane
SMILESCCOC1CCCS1
InChIInChI=1S/C6H12OS/c1-2-7-6-4-3-5-8-6/h6H,2-5H2,1H3
InChIKeyBGXXMGGFQQXLTH-UHFFFAOYSA-N
XLogP1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-1,3-oxathiolane
CID 21886
2-(1-Methylethyl)-1,3-oxathiolane
CID 28673
2-Propyl-1,3-oxathiolane
CID 234807
2-Methyl-1,3-oxathiolane
CID 519463
trans-2-Ethyl-5-methyl-1,3-oxathiolane
CID 142253
2-Isobutyl-1,3-oxothiolane
CID 529631
4-Methyl-1,3-oxathiolane
CID 554174
1-Butoxy-2-butylmercaptoethane
CID 86145645
1,3-Oxathiolane, 2-(1,1-dimethylethyl)-
CID 12186083
(r,s)-3-Methoxy-tetrahydro-thiophene
CID 19899984
1-Ethoxy-4-methylsulfanylbutane
CID 54104261
4-Ethyl-1,3-oxathiolane
CID 67192955

Frequently Asked Questions

What is the IUPAC name of 2-ethoxythiolane?
The IUPAC name of 2-ethoxythiolane (CID 11062431) is 2-ethoxythiolane.
What is the SMILES notation for 2-ethoxythiolane?
The canonical SMILES for 2-ethoxythiolane is CCOC1CCCS1.
What is the InChIKey of 2-ethoxythiolane?
The InChIKey is BGXXMGGFQQXLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-7-6-4-3-5-8-6/h6H,2-5H2,1H3.
What are the key properties of 2-ethoxythiolane?
2-ethoxythiolane has a molecular weight of 132.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxythiolane is sourced from PubChem (CID 11062431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).