ethanethiolate;sulfanylmethanethiolate;yttrium

C3H8S3Y-2 — CID 59876608

IUPACethanethiolate;sulfanylmethanethiolate;yttrium
SMILESCC[S-].[S-]CS.[Y]
InChIInChI=1S/C2H6S.CH4S2.Y/c1-2-3;2-1-3;/h3H,2H2,1H3;2-3H,1H2;/p-2
InChIKeyLAQZKNLUFIQCTC-UHFFFAOYSA-L
MW229.20 g/mol
LogP0.97
Rot. Bonds

About ethanethiolate;sulfanylmethanethiolate;yttrium

ethanethiolate;sulfanylmethanethiolate;yttrium (PubChem CID 59876608) has the molecular formula C3H8S3Y-2 and a molecular weight of 229.20 g/mol. Its IUPAC name is ethanethiolate;sulfanylmethanethiolate;yttrium.

Molecular Properties

Compound Nameethanethiolate;sulfanylmethanethiolate;yttrium
PubChem CID59876608
Molecular FormulaC3H8S3Y-2
Molecular Weight229.20 g/mol
Exact Mass228.89
IUPAC Nameethanethiolate;sulfanylmethanethiolate;yttrium
SMILESCC[S-].[S-]CS.[Y]
InChIInChI=1S/C2H6S.CH4S2.Y/c1-2-3;2-1-3;/h3H,2H2,1H3;2-3H,1H2;/p-2
InChIKeyLAQZKNLUFIQCTC-UHFFFAOYSA-L
XLogP0.97
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1,2-13C2)ethanethiol
CID 169439901
ethanethiolate;iron;molybdenum;sulfanide
CID 6419084
ethanethiolate;bis(iron(2+));iron(4+);sulfanide
CID 20805456
CID 58604673
CID 58604673
ethane-1,2-dithiol;propane-1-thiol
CID 161052956
ethane-1,2-diol;ethanethiol
CID 160845424
ethanethiol;tribromoalumane
CID 11324936
carbanide;2-methylbutane;yttrium
CID 58937624
(2R)-2-(dimethylamino)butane-2-thiol
CID 160975847
2-(diethylamino)ethanethiolate;yttrium
CID 177191246
carbon monoxide;ethanethiolate;iron;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dihydroiodide
CID 156619335
ethanamine;yttrium
CID 158796558

Frequently Asked Questions

What is the IUPAC name of ethanethiolate;sulfanylmethanethiolate;yttrium?
The IUPAC name of ethanethiolate;sulfanylmethanethiolate;yttrium (CID 59876608) is ethanethiolate;sulfanylmethanethiolate;yttrium.
What is the SMILES notation for ethanethiolate;sulfanylmethanethiolate;yttrium?
The canonical SMILES for ethanethiolate;sulfanylmethanethiolate;yttrium is CC[S-].[S-]CS.[Y].
What is the InChIKey of ethanethiolate;sulfanylmethanethiolate;yttrium?
The InChIKey is LAQZKNLUFIQCTC-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6S.CH4S2.Y/c1-2-3;2-1-3;/h3H,2H2,1H3;2-3H,1H2;/p-2.
What are the key properties of ethanethiolate;sulfanylmethanethiolate;yttrium?
ethanethiolate;sulfanylmethanethiolate;yttrium has a molecular weight of 229.20 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethiolate;sulfanylmethanethiolate;yttrium is sourced from PubChem (CID 59876608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).