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

C8H6N2O2S — CID 693308

IUPAC5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESOc1ccccc1-c1n[nH]c(=S)o1
InChIInChI=1S/C8H6N2O2S/c11-6-4-2-1-3-5(6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
InChIKeyHMIBKGQKYCFESO-UHFFFAOYSA-N
MW194.22 g/mol
LogP2.10
Rot. Bonds1

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

5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 693308) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID693308
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESOc1ccccc1-c1n[nH]c(=S)o1
InChIInChI=1S/C8H6N2O2S/c11-6-4-2-1-3-5(6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
InChIKeyHMIBKGQKYCFESO-UHFFFAOYSA-N
XLogP2.10
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-Mercapto-1,3,4-oxadiazol-2-yl)phenol
CID 739395
3-(5-Mercapto-[1,3,4]oxadiazol-2-yl)-phenol
CID 745318
5-(2-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 749967
5-(2-Ethoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 2235547
5-(2-Phenoxy-phenyl)-[1,3,4]oxadiazole-2-thiol
CID 25268543
5-(3,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
CID 137793995
5-(2-phenylmethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
CID 44390665
o-Hydroxyphenyl-1,3,4-oxadiazol-2-ol
CID 135624284
(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one
CID 325548
5-(2,5-Dimethoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 33678217
Methyl 2-hydroxybenzenecarboximidate
CID 135905310
5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
CID 136620892

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione (CID 693308) is 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione is Oc1ccccc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is HMIBKGQKYCFESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-6-4-2-1-3-5(6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13).
What are the key properties of 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 194.22 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 693308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).