2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium

C9H14NSY- — CID 58681575

IUPAC2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium
SMILESCS[C-]1C=CC=CN1C(C)C.[Y]
InChIInChI=1S/C9H14NS.Y/c1-8(2)10-7-5-4-6-9(10)11-3;/h4-8H,1-3H3;/q-1;
InChIKeySHVQXIMEJOLHDP-UHFFFAOYSA-N
MW257.19 g/mol
LogP2.63
Rot. Bonds2

About 2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium

2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium (PubChem CID 58681575) has the molecular formula C9H14NSY- and a molecular weight of 257.19 g/mol. Its IUPAC name is 2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium.

Molecular Properties

Compound Name2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium
PubChem CID58681575
Molecular FormulaC9H14NSY-
Molecular Weight257.19 g/mol
Exact Mass256.99
IUPAC Name2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium
SMILESCS[C-]1C=CC=CN1C(C)C.[Y]
InChIInChI=1S/C9H14NS.Y/c1-8(2)10-7-5-4-6-9(10)11-3;/h4-8H,1-3H3;/q-1;
InChIKeySHVQXIMEJOLHDP-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium?
The IUPAC name of 2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium (CID 58681575) is 2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium.
What is the SMILES notation for 2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium?
The canonical SMILES for 2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium is CS[C-]1C=CC=CN1C(C)C.[Y].
What is the InChIKey of 2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium?
The InChIKey is SHVQXIMEJOLHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NS.Y/c1-8(2)10-7-5-4-6-9(10)11-3;/h4-8H,1-3H3;/q-1;.
What are the key properties of 2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium?
2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium has a molecular weight of 257.19 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-propan-2-ylpyridin-2-ide;yttrium is sourced from PubChem (CID 58681575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).