2-(diethylamino)ethanethiolate;yttrium

C6H14NSY- — CID 177191246

IUPAC2-(diethylamino)ethanethiolate;yttrium
SMILESCCN(CC)CC[S-].[Y]
InChIInChI=1S/C6H15NS.Y/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;/p-1
InChIKeyJJVUIIKRPDTAAH-UHFFFAOYSA-M
MW221.16 g/mol
LogP0.87
Rot. Bonds4

About 2-(diethylamino)ethanethiolate;yttrium

2-(diethylamino)ethanethiolate;yttrium (PubChem CID 177191246) has the molecular formula C6H14NSY- and a molecular weight of 221.16 g/mol. Its IUPAC name is 2-(diethylamino)ethanethiolate;yttrium.

Molecular Properties

Compound Name2-(diethylamino)ethanethiolate;yttrium
PubChem CID177191246
Molecular FormulaC6H14NSY-
Molecular Weight221.16 g/mol
Exact Mass220.99
IUPAC Name2-(diethylamino)ethanethiolate;yttrium
SMILESCCN(CC)CC[S-].[Y]
InChIInChI=1S/C6H15NS.Y/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;/p-1
InChIKeyJJVUIIKRPDTAAH-UHFFFAOYSA-M
XLogP0.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 2-(diethylamino)ethanethiolate;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethylethanamine chloride
CID 22292735
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)
CID 23276515
aluminum;N,N-diethylethanamine;trichloride
CID 86649339
zinc;N,N-diethylethanamine;chloride
CID 19867119
N,N-diethylethanamine;neodymium(3+);trichloride
CID 173208753
lithium bis[2-(diethylamino)ethyl]azanide
CID 100962865
bis[2-(diethylamino)ethyl]azanide;vanadium
CID 147184537
N,N-diethylpropan-1-amine;methane
CID 144711865
N,N-diethylethanamine;ethane
CID 22114990
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
CID 58998211
CID 58998211

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethanethiolate;yttrium?
The IUPAC name of 2-(diethylamino)ethanethiolate;yttrium (CID 177191246) is 2-(diethylamino)ethanethiolate;yttrium.
What is the SMILES notation for 2-(diethylamino)ethanethiolate;yttrium?
The canonical SMILES for 2-(diethylamino)ethanethiolate;yttrium is CCN(CC)CC[S-].[Y].
What is the InChIKey of 2-(diethylamino)ethanethiolate;yttrium?
The InChIKey is JJVUIIKRPDTAAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NS.Y/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;/p-1.
What are the key properties of 2-(diethylamino)ethanethiolate;yttrium?
2-(diethylamino)ethanethiolate;yttrium has a molecular weight of 221.16 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethanethiolate;yttrium is sourced from PubChem (CID 177191246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).