ethane;methanethiolate;yttrium

C3H8SY-2 — CID 58330231

IUPACethane;methanethiolate;yttrium
SMILESC[S-].[CH2-]C.[Y]
InChIInChI=1S/C2H5.CH4S.Y/c2*1-2;/h1H2,2H3;2H,1H3;/q-1;;/p-1
InChIKeyYZHFJEKJMSBKNB-UHFFFAOYSA-M
MW165.07 g/mol
LogP1.00
Rot. Bonds

About ethane;methanethiolate;yttrium

ethane;methanethiolate;yttrium (PubChem CID 58330231) has the molecular formula C3H8SY-2 and a molecular weight of 165.07 g/mol. Its IUPAC name is ethane;methanethiolate;yttrium.

Molecular Properties

Compound Nameethane;methanethiolate;yttrium
PubChem CID58330231
Molecular FormulaC3H8SY-2
Molecular Weight165.07 g/mol
Exact Mass164.94
IUPAC Nameethane;methanethiolate;yttrium
SMILESC[S-].[CH2-]C.[Y]
InChIInChI=1S/C2H5.CH4S.Y/c2*1-2;/h1H2,2H3;2H,1H3;/q-1;;/p-1
InChIKeyYZHFJEKJMSBKNB-UHFFFAOYSA-M
XLogP1.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.07
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methanethiolate;yttrium?
The IUPAC name of ethane;methanethiolate;yttrium (CID 58330231) is ethane;methanethiolate;yttrium.
What is the SMILES notation for ethane;methanethiolate;yttrium?
The canonical SMILES for ethane;methanethiolate;yttrium is C[S-].[CH2-]C.[Y].
What is the InChIKey of ethane;methanethiolate;yttrium?
The InChIKey is YZHFJEKJMSBKNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5.CH4S.Y/c2*1-2;/h1H2,2H3;2H,1H3;/q-1;;/p-1.
What are the key properties of ethane;methanethiolate;yttrium?
ethane;methanethiolate;yttrium has a molecular weight of 165.07 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanethiolate;yttrium is sourced from PubChem (CID 58330231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).