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

C8H6N2O2S — CID 745318

IUPAC5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESOc1cccc(-c2n[nH]c(=S)o2)c1
InChIInChI=1S/C8H6N2O2S/c11-6-3-1-2-5(4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
InChIKeyCNOGHDSTUCQSOV-UHFFFAOYSA-N
MW194.22 g/mol
LogP2.10
Rot. Bonds1

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

5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 745318) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID745318
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESOc1cccc(-c2n[nH]c(=S)o2)c1
InChIInChI=1S/C8H6N2O2S/c11-6-3-1-2-5(4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
InChIKeyCNOGHDSTUCQSOV-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

5-(2'-Hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione (2)
CID 693308
4-(5-Mercapto-1,3,4-oxadiazol-2-yl)phenol
CID 739395
5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 726011
5-[3-Benzyloxyphenyl]-1,3,4-oxadiazole-2(3H)-thione
CID 46225810
5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
CID 166628528
5-(3,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
CID 137793995
5-(3-phenoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
CID 25268901
o-Hydroxyphenyl-1,3,4-oxadiazol-2-ol
CID 135624284
5-(2,5-Dimethoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 33678217
5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
CID 136620892
5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thione hemihydrate
CID 168303470
5-(4'-Hydroxy-[1,1'-biphenyl]-4-yl)-1,3,4-oxadiazole-2(3h)-thione
CID 171919154

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione (CID 745318) is 5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione is Oc1cccc(-c2n[nH]c(=S)o2)c1.
What is the InChIKey of 5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is CNOGHDSTUCQSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-6-3-1-2-5(4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13).
What are the key properties of 5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
5-(3-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-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 745318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).