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

C8H8N2O2S2 — CID 142472620

IUPAC3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione
SMILESCCOc1ccsc1-c1nc(=S)o[nH]1
InChIInChI=1S/C8H8N2O2S2/c1-2-11-5-3-4-14-6(5)7-9-8(13)12-10-7/h3-4H,2H2,1H3,(H,9,10,13)
InChIKeyALZKRENROGVPOT-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.86
Rot. Bonds3

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

3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione (PubChem CID 142472620) has the molecular formula C8H8N2O2S2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione.

Molecular Properties

Compound Name3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione
PubChem CID142472620
Molecular FormulaC8H8N2O2S2
Molecular Weight228.30 g/mol
Exact Mass228.00
IUPAC Name3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione
SMILESCCOc1ccsc1-c1nc(=S)o[nH]1
InChIInChI=1S/C8H8N2O2S2/c1-2-11-5-3-4-14-6(5)7-9-8(13)12-10-7/h3-4H,2H2,1H3,(H,9,10,13)
InChIKeyALZKRENROGVPOT-UHFFFAOYSA-N
XLogP2.86
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione?
The IUPAC name of 3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione (CID 142472620) is 3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione.
What is the SMILES notation for 3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione?
The canonical SMILES for 3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione is CCOc1ccsc1-c1nc(=S)o[nH]1.
What is the InChIKey of 3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione?
The InChIKey is ALZKRENROGVPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S2/c1-2-11-5-3-4-14-6(5)7-9-8(13)12-10-7/h3-4H,2H2,1H3,(H,9,10,13).
What are the key properties of 3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione?
3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione has a molecular weight of 228.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxythiophen-2-yl)-2H-1,2,4-oxadiazole-5-thione is sourced from PubChem (CID 142472620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).