3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium

C13H23N2O5SY- — CID 171647274

IUPAC3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium
SMILESC#CCCOCCOCCOCCOCC([S-])C(=O)NN.[Y]
InChIInChI=1S/C13H24N2O5S.Y/c1-2-3-4-17-5-6-18-7-8-19-9-10-20-11-12(21)13(16)15-14;/h1,12,21H,3-11,14H2,(H,15,16);/p-1
InChIKeyCDPHSZMZIUPVTQ-UHFFFAOYSA-M
MW408.31 g/mol
LogP-1.02
Rot. Bonds14

About 3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium

3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium (PubChem CID 171647274) has the molecular formula C13H23N2O5SY- and a molecular weight of 408.31 g/mol. Its IUPAC name is 3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium.

Molecular Properties

Compound Name3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium
PubChem CID171647274
Molecular FormulaC13H23N2O5SY-
Molecular Weight408.31 g/mol
Exact Mass408.04
IUPAC Name3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium
SMILESC#CCCOCCOCCOCCOCC([S-])C(=O)NN.[Y]
InChIInChI=1S/C13H24N2O5S.Y/c1-2-3-4-17-5-6-18-7-8-19-9-10-20-11-12(21)13(16)15-14;/h1,12,21H,3-11,14H2,(H,15,16);/p-1
InChIKeyCDPHSZMZIUPVTQ-UHFFFAOYSA-M
XLogP-1.02
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium?
The IUPAC name of 3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium (CID 171647274) is 3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium.
What is the SMILES notation for 3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium?
The canonical SMILES for 3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium is C#CCCOCCOCCOCCOCC([S-])C(=O)NN.[Y].
What is the InChIKey of 3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium?
The InChIKey is CDPHSZMZIUPVTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H24N2O5S.Y/c1-2-3-4-17-5-6-18-7-8-19-9-10-20-11-12(21)13(16)15-14;/h1,12,21H,3-11,14H2,(H,15,16);/p-1.
What are the key properties of 3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium?
3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium has a molecular weight of 408.31 g/mol, XLogP of -1.02, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethoxy]-1-hydrazinyl-1-oxopropane-2-thiolate;yttrium is sourced from PubChem (CID 171647274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).