ethane;1H-thioxanthen-1-id-9-one;yttrium

C17H19OSY- — CID 171522112

IUPACethane;1H-thioxanthen-1-id-9-one;yttrium
SMILESCC.CC.O=c1c2[c-]cccc2sc2ccccc12.[Y]
InChIInChI=1S/C13H7OS.2C2H6.Y/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;2*1-2;/h1-5,7-8H;2*1-2H3;/q-1;;;
InChIKeyJZVKIZNZGSXZIJ-UHFFFAOYSA-N
MW360.31 g/mol
LogP5.26
Rot. Bonds

About ethane;1H-thioxanthen-1-id-9-one;yttrium

ethane;1H-thioxanthen-1-id-9-one;yttrium (PubChem CID 171522112) has the molecular formula C17H19OSY- and a molecular weight of 360.31 g/mol. Its IUPAC name is ethane;1H-thioxanthen-1-id-9-one;yttrium.

Molecular Properties

Compound Nameethane;1H-thioxanthen-1-id-9-one;yttrium
PubChem CID171522112
Molecular FormulaC17H19OSY-
Molecular Weight360.31 g/mol
Exact Mass360.02
IUPAC Nameethane;1H-thioxanthen-1-id-9-one;yttrium
SMILESCC.CC.O=c1c2[c-]cccc2sc2ccccc12.[Y]
InChIInChI=1S/C13H7OS.2C2H6.Y/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;2*1-2;/h1-5,7-8H;2*1-2H3;/q-1;;;
InChIKeyJZVKIZNZGSXZIJ-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.31
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1H-thioxanthen-1-id-9-one;yttrium
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dibenzothiophene;ethane;molecular hydrogen
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3-bromo-2-methylthiochromen-4-one
CID 119090270
benzene;benzenethiol;ethane;methylsulfanylmethane;bis(thioxanthen-9-one)
CID 159668909
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CID 157172339
2-methylprop-2-enoic acid;thioxanthen-9-one
CID 174860771
dibenzothiophene;formaldehyde
CID 20556925
iridium;1-phenyl-[1]benzothiolo[3,2-c]pyridine
CID 58987207
2-chlorothioxanthen-9-one;9,10-dimethylanthracene
CID 158085285
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of ethane;1H-thioxanthen-1-id-9-one;yttrium?
The IUPAC name of ethane;1H-thioxanthen-1-id-9-one;yttrium (CID 171522112) is ethane;1H-thioxanthen-1-id-9-one;yttrium.
What is the SMILES notation for ethane;1H-thioxanthen-1-id-9-one;yttrium?
The canonical SMILES for ethane;1H-thioxanthen-1-id-9-one;yttrium is CC.CC.O=c1c2[c-]cccc2sc2ccccc12.[Y].
What is the InChIKey of ethane;1H-thioxanthen-1-id-9-one;yttrium?
The InChIKey is JZVKIZNZGSXZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7OS.2C2H6.Y/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;2*1-2;/h1-5,7-8H;2*1-2H3;/q-1;;;.
What are the key properties of ethane;1H-thioxanthen-1-id-9-one;yttrium?
ethane;1H-thioxanthen-1-id-9-one;yttrium has a molecular weight of 360.31 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-thioxanthen-1-id-9-one;yttrium is sourced from PubChem (CID 171522112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).