ethylsulfanylbenzene;yttrium

C8H9SY- — CID 58895631

IUPACethylsulfanylbenzene;yttrium
SMILESCCSc1[c-]cccc1.[Y]
InChIInChI=1S/C8H9S.Y/c1-2-9-8-6-4-3-5-7-8;/h3-6H,2H2,1H3;/q-1;
InChIKeyLMZQZSZHYIHDFA-UHFFFAOYSA-N
MW226.13 g/mol
LogP2.60
Rot. Bonds2

About ethylsulfanylbenzene;yttrium

ethylsulfanylbenzene;yttrium (PubChem CID 58895631) has the molecular formula C8H9SY- and a molecular weight of 226.13 g/mol. Its IUPAC name is ethylsulfanylbenzene;yttrium.

Molecular Properties

Compound Nameethylsulfanylbenzene;yttrium
PubChem CID58895631
Molecular FormulaC8H9SY-
Molecular Weight226.13 g/mol
Exact Mass225.95
IUPAC Nameethylsulfanylbenzene;yttrium
SMILESCCSc1[c-]cccc1.[Y]
InChIInChI=1S/C8H9S.Y/c1-2-9-8-6-4-3-5-7-8;/h3-6H,2H2,1H3;/q-1;
InChIKeyLMZQZSZHYIHDFA-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 52.60
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 ethylsulfanylbenzene;yttrium?
The IUPAC name of ethylsulfanylbenzene;yttrium (CID 58895631) is ethylsulfanylbenzene;yttrium.
What is the SMILES notation for ethylsulfanylbenzene;yttrium?
The canonical SMILES for ethylsulfanylbenzene;yttrium is CCSc1[c-]cccc1.[Y].
What is the InChIKey of ethylsulfanylbenzene;yttrium?
The InChIKey is LMZQZSZHYIHDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9S.Y/c1-2-9-8-6-4-3-5-7-8;/h3-6H,2H2,1H3;/q-1;.
What are the key properties of ethylsulfanylbenzene;yttrium?
ethylsulfanylbenzene;yttrium has a molecular weight of 226.13 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylbenzene;yttrium is sourced from PubChem (CID 58895631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).