dimethyl(phenyl)sulfanium;yttrium

C8H10SY — CID 59005907

IUPACdimethyl(phenyl)sulfanium;yttrium
SMILESC[S+](C)c1cc[c-]cc1.[Y]
InChIInChI=1S/C8H10S.Y/c1-9(2)8-6-4-3-5-7-8;/h4-7H,1-2H3;
InChIKeyJXTKSKVXJWTQRI-UHFFFAOYSA-N
MW227.14 g/mol
LogP1.72
Rot. Bonds1

About dimethyl(phenyl)sulfanium;yttrium

dimethyl(phenyl)sulfanium;yttrium (PubChem CID 59005907) has the molecular formula C8H10SY and a molecular weight of 227.14 g/mol. Its IUPAC name is dimethyl(phenyl)sulfanium;yttrium.

Molecular Properties

Compound Namedimethyl(phenyl)sulfanium;yttrium
PubChem CID59005907
Molecular FormulaC8H10SY
Molecular Weight227.14 g/mol
Exact Mass226.96
IUPAC Namedimethyl(phenyl)sulfanium;yttrium
SMILESC[S+](C)c1cc[c-]cc1.[Y]
InChIInChI=1S/C8H10S.Y/c1-9(2)8-6-4-3-5-7-8;/h4-7H,1-2H3;
InChIKeyJXTKSKVXJWTQRI-UHFFFAOYSA-N
XLogP1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E,7Z)-7-methylsulfanyltrideca-1,3,5,7-tetraen-9,11-diyne
CID 101416374
7-Methylsulfanyltrideca-1,3,5,7-tetraen-9,11-diyne
CID 162977268
Lithium, [2-(methylthio)phenyl]-
CID 11789236
Lithium methylsulfanylbenzene
CID 11815874
2-Methyl-thio-2,4-hexadiene
CID 129654531
(3E,5Z)-2-fluoro-3-methylsulfanylhepta-1,3,5-triene
CID 143284367
Lithium ethylsulfanylbenzene
CID 86020148
Propenylidene thiapyran
CID 129799274
ZINC;ethane;methylsulfanylbenzene
CID 139256875
Copper(1+) 2-(ethylsulfanyl)benzen-1-ide
CID 73192329
(3Z,5E)-5-fluoro-2-methylsulfanylhepta-1,3,5-triene
CID 143306108
(3E)-5-methylsulfanylpenta-1,3-diene
CID 13023538

Frequently Asked Questions

What is the IUPAC name of dimethyl(phenyl)sulfanium;yttrium?
The IUPAC name of dimethyl(phenyl)sulfanium;yttrium (CID 59005907) is dimethyl(phenyl)sulfanium;yttrium.
What is the SMILES notation for dimethyl(phenyl)sulfanium;yttrium?
The canonical SMILES for dimethyl(phenyl)sulfanium;yttrium is C[S+](C)c1cc[c-]cc1.[Y].
What is the InChIKey of dimethyl(phenyl)sulfanium;yttrium?
The InChIKey is JXTKSKVXJWTQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S.Y/c1-9(2)8-6-4-3-5-7-8;/h4-7H,1-2H3;.
What are the key properties of dimethyl(phenyl)sulfanium;yttrium?
dimethyl(phenyl)sulfanium;yttrium has a molecular weight of 227.14 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenyl)sulfanium;yttrium is sourced from PubChem (CID 59005907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).