5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione

C14H10N2O2S — CID 171919154

IUPAC5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione
SMILESOc1ccc(-c2ccc(-c3n[nH]c(=S)o3)cc2)cc1
InChIInChI=1S/C14H10N2O2S/c17-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13-15-16-14(19)18-13/h1-8,17H,(H,16,19)
InChIKeyRFAVUTFFMAZISF-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.77
Rot. Bonds2

About 5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione

5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 171919154) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID171919154
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione
SMILESOc1ccc(-c2ccc(-c3n[nH]c(=S)o3)cc2)cc1
InChIInChI=1S/C14H10N2O2S/c17-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13-15-16-14(19)18-13/h1-8,17H,(H,16,19)
InChIKeyRFAVUTFFMAZISF-UHFFFAOYSA-N
XLogP3.77
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.77
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-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione (CID 171919154) is 5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione is Oc1ccc(-c2ccc(-c3n[nH]c(=S)o3)cc2)cc1.
What is the InChIKey of 5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is RFAVUTFFMAZISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13-15-16-14(19)18-13/h1-8,17H,(H,16,19).
What are the key properties of 5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione?
5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 270.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-hydroxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 171919154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).