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

C10H10N2O2S — CID 2235547

IUPAC5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESCCOc1ccccc1-c1n[nH]c(=S)o1
InChIInChI=1S/C10H10N2O2S/c1-2-13-8-6-4-3-5-7(8)9-11-12-10(15)14-9/h3-6H,2H2,1H3,(H,12,15)
InChIKeyVTXLLACKNPVAJW-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.80
Rot. Bonds3

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

5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 2235547) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID2235547
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESCCOc1ccccc1-c1n[nH]c(=S)o1
InChIInChI=1S/C10H10N2O2S/c1-2-13-8-6-4-3-5-7(8)9-11-12-10(15)14-9/h3-6H,2H2,1H3,(H,12,15)
InChIKeyVTXLLACKNPVAJW-UHFFFAOYSA-N
XLogP2.80
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 683639
4-Ethoxybenzaldehyde thiosemicarbazone
CID 9562988
5-(2'-Hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione (2)
CID 693308
5-(4-Ethoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 873479
[(E)-(2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 5332225
1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)-
CID 2901686
5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol
CID 2433150
5-[4-(Prop-2-en-1-yloxy)phenyl]-1,3,4-oxadiazole-2-thiol
CID 3100742
5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione
CID 701063
5-(2-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 749967
5-(4-Methoxybenzyl)-1,3,4-oxadiazole-2-thiol
CID 1133112
5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 726011

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione (CID 2235547) is 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione is CCOc1ccccc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is VTXLLACKNPVAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-13-8-6-4-3-5-7(8)9-11-12-10(15)14-9/h3-6H,2H2,1H3,(H,12,15).
What are the key properties of 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 222.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 2235547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).