4-(thiolan-2-yloxy)-1,2-oxazole

C7H9NO2S — CID 117233313

IUPAC4-(thiolan-2-yloxy)-1,2-oxazole
SMILESc1nocc1OC1CCCS1
InChIInChI=1S/C7H9NO2S/c1-2-7(11-3-1)10-6-4-8-9-5-6/h4-5,7H,1-3H2
InChIKeyYSEOHUYZSBGPFC-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.91
Rot. Bonds2

About 4-(thiolan-2-yloxy)-1,2-oxazole

4-(thiolan-2-yloxy)-1,2-oxazole (PubChem CID 117233313) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-(thiolan-2-yloxy)-1,2-oxazole.

Molecular Properties

Compound Name4-(thiolan-2-yloxy)-1,2-oxazole
PubChem CID117233313
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name4-(thiolan-2-yloxy)-1,2-oxazole
SMILESc1nocc1OC1CCCS1
InChIInChI=1S/C7H9NO2S/c1-2-7(11-3-1)10-6-4-8-9-5-6/h4-5,7H,1-3H2
InChIKeyYSEOHUYZSBGPFC-UHFFFAOYSA-N
XLogP1.91
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-2-yloxy)-1,2-oxazole?
The IUPAC name of 4-(thiolan-2-yloxy)-1,2-oxazole (CID 117233313) is 4-(thiolan-2-yloxy)-1,2-oxazole.
What is the SMILES notation for 4-(thiolan-2-yloxy)-1,2-oxazole?
The canonical SMILES for 4-(thiolan-2-yloxy)-1,2-oxazole is c1nocc1OC1CCCS1.
What is the InChIKey of 4-(thiolan-2-yloxy)-1,2-oxazole?
The InChIKey is YSEOHUYZSBGPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-2-7(11-3-1)10-6-4-8-9-5-6/h4-5,7H,1-3H2.
What are the key properties of 4-(thiolan-2-yloxy)-1,2-oxazole?
4-(thiolan-2-yloxy)-1,2-oxazole has a molecular weight of 171.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-2-yloxy)-1,2-oxazole is sourced from PubChem (CID 117233313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).