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

C8H6N2O3S — CID 135587741

IUPAC5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESOc1ccc(O)c(-c2n[nH]c(=S)o2)c1
InChIInChI=1S/C8H6N2O3S/c11-4-1-2-6(12)5(3-4)7-9-10-8(14)13-7/h1-3,11-12H,(H,10,14)
InChIKeyWXBWWPDIQSHHTD-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.81
Rot. Bonds1

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

5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 135587741) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is 5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID135587741
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESOc1ccc(O)c(-c2n[nH]c(=S)o2)c1
InChIInChI=1S/C8H6N2O3S/c11-4-1-2-6(12)5(3-4)7-9-10-8(14)13-7/h1-3,11-12H,(H,10,14)
InChIKeyWXBWWPDIQSHHTD-UHFFFAOYSA-N
XLogP1.81
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'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
3-(5-Mercapto-[1,3,4]oxadiazol-2-yl)-phenol
CID 745318
5-(2-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 749967
5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 726011
2-(2,5-Dihydroxybenzylidene)hydrazine-1-carbothioamide
CID 135857442
5-(3,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
CID 137793995
o-Hydroxyphenyl-1,3,4-oxadiazol-2-ol
CID 135624284
5-(2,5-Dimethoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 33678217
(E)-1-(2-Hydroxy-5-methoxybenzylidene)thiosemicarbazide
CID 135491064
5-(4-fluoro-2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
CID 136620892
2-[(2,5-Dihydroxyphenyl)methylene]hydrazinecarbothioamide
CID 137207510

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione (CID 135587741) is 5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione is Oc1ccc(O)c(-c2n[nH]c(=S)o2)c1.
What is the InChIKey of 5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is WXBWWPDIQSHHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c11-4-1-2-6(12)5(3-4)7-9-10-8(14)13-7/h1-3,11-12H,(H,10,14).
What are the key properties of 5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 210.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 135587741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).