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

C8H5FN2OS — CID 10352646

IUPAC5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESFc1cccc(-c2n[nH]c(=S)o2)c1
InChIInChI=1S/C8H5FN2OS/c9-6-3-1-2-5(4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
InChIKeyGUVLMQZAXFGRER-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.54
Rot. Bonds1

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

5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 10352646) has the molecular formula C8H5FN2OS and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID10352646
Molecular FormulaC8H5FN2OS
Molecular Weight196.21 g/mol
Exact Mass196.01
IUPAC Name5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESFc1cccc(-c2n[nH]c(=S)o2)c1
InChIInChI=1S/C8H5FN2OS/c9-6-3-1-2-5(4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
InChIKeyGUVLMQZAXFGRER-UHFFFAOYSA-N
XLogP2.54
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione (CID 10352646) is 5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione is Fc1cccc(-c2n[nH]c(=S)o2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is GUVLMQZAXFGRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2OS/c9-6-3-1-2-5(4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13).
What are the key properties of 5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione?
5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 196.21 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 10352646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).