methanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+)

C6H12OSY+ — CID 20609735

IUPACmethanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+)
SMILES[CH2-]SC.[H]/[C-]=C(/C)CO.[Y+3]
InChIInChI=1S/C4H7O.C2H5S.Y/c1-4(2)3-5;1-3-2;/h1,5H,3H2,2H3;1H2,2H3;/q2*-1;+3
InChIKeyITHOAYWUJLNYOR-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.50
Rot. Bonds1

About methanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+)

methanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+) (PubChem CID 20609735) has the molecular formula C6H12OSY+ and a molecular weight of 221.13 g/mol. Its IUPAC name is methanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+).

Molecular Properties

Compound Namemethanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+)
PubChem CID20609735
Molecular FormulaC6H12OSY+
Molecular Weight221.13 g/mol
Exact Mass220.97
IUPAC Namemethanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+)
SMILES[CH2-]SC.[H]/[C-]=C(/C)CO.[Y+3]
InChIInChI=1S/C4H7O.C2H5S.Y/c1-4(2)3-5;1-3-2;/h1,5H,3H2,2H3;1H2,2H3;/q2*-1;+3
InChIKeyITHOAYWUJLNYOR-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.50
H-Bond Donors ≤ 51
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 methanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+)?
The IUPAC name of methanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+) (CID 20609735) is methanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+).
What is the SMILES notation for methanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+)?
The canonical SMILES for methanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+) is [CH2-]SC.[H]/[C-]=C(/C)CO.[Y+3].
What is the InChIKey of methanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+)?
The InChIKey is ITHOAYWUJLNYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O.C2H5S.Y/c1-4(2)3-5;1-3-2;/h1,5H,3H2,2H3;1H2,2H3;/q2*-1;+3.
What are the key properties of methanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+)?
methanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+) has a molecular weight of 221.13 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidylsulfanylmethane;2-methylprop-2-en-1-ol;yttrium(3+) is sourced from PubChem (CID 20609735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).