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

C6H10N2O2S — CID 62591020

IUPAC5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione
SMILESCCOCCc1n[nH]c(=S)o1
InChIInChI=1S/C6H10N2O2S/c1-2-9-4-3-5-7-8-6(11)10-5/h2-4H2,1H3,(H,8,11)
InChIKeyXPNNOTXYKXPTFS-UHFFFAOYSA-N
MW174.22 g/mol
LogP1.31
Rot. Bonds4

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

5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 62591020) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID62591020
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione
SMILESCCOCCc1n[nH]c(=S)o1
InChIInChI=1S/C6H10N2O2S/c1-2-9-4-3-5-7-8-6(11)10-5/h2-4H2,1H3,(H,8,11)
InChIKeyXPNNOTXYKXPTFS-UHFFFAOYSA-N
XLogP1.31
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione (CID 62591020) is 5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione is CCOCCc1n[nH]c(=S)o1.
What is the InChIKey of 5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is XPNNOTXYKXPTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-2-9-4-3-5-7-8-6(11)10-5/h2-4H2,1H3,(H,8,11).
What are the key properties of 5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione?
5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 174.22 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 62591020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).