5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione

C8H5FN2O2S — CID 136620892

IUPAC5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESOc1cc(F)ccc1-c1n[nH]c(=S)o1
InChIInChI=1S/C8H5FN2O2S/c9-4-1-2-5(6(12)3-4)7-10-11-8(14)13-7/h1-3,12H,(H,11,14)
InChIKeyJRPLMKOXXCCJLS-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.24
Rot. Bonds1

About 5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione

5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 136620892) has the molecular formula C8H5FN2O2S and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID136620892
Molecular FormulaC8H5FN2O2S
Molecular Weight212.20 g/mol
Exact Mass212.01
IUPAC Name5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESOc1cc(F)ccc1-c1n[nH]c(=S)o1
InChIInChI=1S/C8H5FN2O2S/c9-4-1-2-5(6(12)3-4)7-10-11-8(14)13-7/h1-3,12H,(H,11,14)
InChIKeyJRPLMKOXXCCJLS-UHFFFAOYSA-N
XLogP2.24
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione (CID 136620892) is 5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione is Oc1cc(F)ccc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is JRPLMKOXXCCJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2S/c9-4-1-2-5(6(12)3-4)7-10-11-8(14)13-7/h1-3,12H,(H,11,14).
What are the key properties of 5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 212.20 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 136620892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).