3-ethylthietane;yttrium

C5H9SY- — CID 148944500

IUPAC3-ethylthietane;yttrium
SMILES[CH2-]CC1CSC1.[Y]
InChIInChI=1S/C5H9S.Y/c1-2-5-3-6-4-5;/h5H,1-4H2;/q-1;
InChIKeyKBKGAQXOODSVRZ-UHFFFAOYSA-N
MW190.10 g/mol
LogP1.57
Rot. Bonds1

About 3-ethylthietane;yttrium

3-ethylthietane;yttrium (PubChem CID 148944500) has the molecular formula C5H9SY- and a molecular weight of 190.10 g/mol. Its IUPAC name is 3-ethylthietane;yttrium.

Molecular Properties

Compound Name3-ethylthietane;yttrium
PubChem CID148944500
Molecular FormulaC5H9SY-
Molecular Weight190.10 g/mol
Exact Mass189.95
IUPAC Name3-ethylthietane;yttrium
SMILES[CH2-]CC1CSC1.[Y]
InChIInChI=1S/C5H9S.Y/c1-2-5-3-6-4-5;/h5H,1-4H2;/q-1;
InChIKeyKBKGAQXOODSVRZ-UHFFFAOYSA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 51.57
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-ethylthietane;yttrium?
The IUPAC name of 3-ethylthietane;yttrium (CID 148944500) is 3-ethylthietane;yttrium.
What is the SMILES notation for 3-ethylthietane;yttrium?
The canonical SMILES for 3-ethylthietane;yttrium is [CH2-]CC1CSC1.[Y].
What is the InChIKey of 3-ethylthietane;yttrium?
The InChIKey is KBKGAQXOODSVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9S.Y/c1-2-5-3-6-4-5;/h5H,1-4H2;/q-1;.
What are the key properties of 3-ethylthietane;yttrium?
3-ethylthietane;yttrium has a molecular weight of 190.10 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylthietane;yttrium is sourced from PubChem (CID 148944500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).