3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium

C5H9SY- — CID 59215191

IUPAC3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium
SMILES[CH-]1CCCCS1.[Y]
InChIInChI=1S/C5H9S.Y/c1-2-4-6-5-3-1;/h4H,1-3,5H2;/q-1;
InChIKeyQOUUOXLNLOOWCM-UHFFFAOYSA-N
MW190.10 g/mol
LogP2.06
Rot. Bonds

About 3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium

3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium (PubChem CID 59215191) has the molecular formula C5H9SY- and a molecular weight of 190.10 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium
PubChem CID59215191
Molecular FormulaC5H9SY-
Molecular Weight190.10 g/mol
Exact Mass189.95
IUPAC Name3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium
SMILES[CH-]1CCCCS1.[Y]
InChIInChI=1S/C5H9S.Y/c1-2-4-6-5-3-1;/h4H,1-3,5H2;/q-1;
InChIKeyQOUUOXLNLOOWCM-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium?
The IUPAC name of 3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium (CID 59215191) is 3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium.
What is the SMILES notation for 3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium?
The canonical SMILES for 3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium is [CH-]1CCCCS1.[Y].
What is the InChIKey of 3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium?
The InChIKey is QOUUOXLNLOOWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9S.Y/c1-2-4-6-5-3-1;/h4H,1-3,5H2;/q-1;.
What are the key properties of 3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium?
3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium has a molecular weight of 190.10 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-2H-thiopyran-6-ide;yttrium is sourced from PubChem (CID 59215191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).