4-(thiolan-3-yloxy)-1,2-oxazole

C7H9NO2S — CID 117233292

IUPAC4-(thiolan-3-yloxy)-1,2-oxazole
SMILESc1nocc1OC1CCSC1
InChIInChI=1S/C7H9NO2S/c1-2-11-5-6(1)10-7-3-8-9-4-7/h3-4,6H,1-2,5H2
InChIKeyJTTVBNSQAMBWLC-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.56
Rot. Bonds2

About 4-(thiolan-3-yloxy)-1,2-oxazole

4-(thiolan-3-yloxy)-1,2-oxazole (PubChem CID 117233292) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-(thiolan-3-yloxy)-1,2-oxazole.

Molecular Properties

Compound Name4-(thiolan-3-yloxy)-1,2-oxazole
PubChem CID117233292
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name4-(thiolan-3-yloxy)-1,2-oxazole
SMILESc1nocc1OC1CCSC1
InChIInChI=1S/C7H9NO2S/c1-2-11-5-6(1)10-7-3-8-9-4-7/h3-4,6H,1-2,5H2
InChIKeyJTTVBNSQAMBWLC-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-3-yloxy)-1,2-oxazole?
The IUPAC name of 4-(thiolan-3-yloxy)-1,2-oxazole (CID 117233292) is 4-(thiolan-3-yloxy)-1,2-oxazole.
What is the SMILES notation for 4-(thiolan-3-yloxy)-1,2-oxazole?
The canonical SMILES for 4-(thiolan-3-yloxy)-1,2-oxazole is c1nocc1OC1CCSC1.
What is the InChIKey of 4-(thiolan-3-yloxy)-1,2-oxazole?
The InChIKey is JTTVBNSQAMBWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-2-11-5-6(1)10-7-3-8-9-4-7/h3-4,6H,1-2,5H2.
What are the key properties of 4-(thiolan-3-yloxy)-1,2-oxazole?
4-(thiolan-3-yloxy)-1,2-oxazole has a molecular weight of 171.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-yloxy)-1,2-oxazole is sourced from PubChem (CID 117233292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).