1-phenyl-2-sulfanylethanol;yttrium

C8H9OSY- — CID 59775673

IUPAC1-phenyl-2-sulfanylethanol;yttrium
SMILESOC(CS)c1cc[c-]cc1.[Y]
InChIInChI=1S/C8H9OS.Y/c9-8(6-10)7-4-2-1-3-5-7;/h2-5,8-10H,6H2;/q-1;
InChIKeyCDVNHTAADLPRAJ-UHFFFAOYSA-N
MW242.13 g/mol
LogP1.45
Rot. Bonds2

About 1-phenyl-2-sulfanylethanol;yttrium

1-phenyl-2-sulfanylethanol;yttrium (PubChem CID 59775673) has the molecular formula C8H9OSY- and a molecular weight of 242.13 g/mol. Its IUPAC name is 1-phenyl-2-sulfanylethanol;yttrium.

Molecular Properties

Compound Name1-phenyl-2-sulfanylethanol;yttrium
PubChem CID59775673
Molecular FormulaC8H9OSY-
Molecular Weight242.13 g/mol
Exact Mass241.94
IUPAC Name1-phenyl-2-sulfanylethanol;yttrium
SMILESOC(CS)c1cc[c-]cc1.[Y]
InChIInChI=1S/C8H9OS.Y/c9-8(6-10)7-4-2-1-3-5-7;/h2-5,8-10H,6H2;/q-1;
InChIKeyCDVNHTAADLPRAJ-UHFFFAOYSA-N
XLogP1.45
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-Prop-2-enylcyclohexa-2,4-dien-1-ol
CID 129864182
1-(4-Ethylbenzene-5-id-1-yl)-2-sulfanylethanol;yttrium
CID 59197896
5-Sulfanylcyclohexa-2,4-dien-1-ol
CID 87117976
4-(2-Sulfanylpropyl)cyclohexa-3,5-diene-1,2-diol
CID 87414951
3,6-Dimethyl-6-sulfanylcyclohexa-2,4-dien-1-ol
CID 87698973
1-(2H-thiopyran-4-yl)prop-2-yn-1-ol
CID 87769185
6-Methyl-6-sulfanylcyclohexa-2,4-dien-1-ol
CID 88233802
4-Ethenylcyclohexa-2,4-dien-1-ol
CID 89298961
(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-2-ol
CID 117916834
(3S,4R)-3-sulfanylcyclohexa-1,5-diene-1,4-diol
CID 118535488
1-(4-Bromo-4-methylcyclohexa-1,5-dien-1-yl)-2-sulfanylethanol
CID 123759877
3-(6-Sulfanylcyclohexa-1,3-dien-1-yl)prop-2-en-1-ol
CID 123766485

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-sulfanylethanol;yttrium?
The IUPAC name of 1-phenyl-2-sulfanylethanol;yttrium (CID 59775673) is 1-phenyl-2-sulfanylethanol;yttrium.
What is the SMILES notation for 1-phenyl-2-sulfanylethanol;yttrium?
The canonical SMILES for 1-phenyl-2-sulfanylethanol;yttrium is OC(CS)c1cc[c-]cc1.[Y].
What is the InChIKey of 1-phenyl-2-sulfanylethanol;yttrium?
The InChIKey is CDVNHTAADLPRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9OS.Y/c9-8(6-10)7-4-2-1-3-5-7;/h2-5,8-10H,6H2;/q-1;.
What are the key properties of 1-phenyl-2-sulfanylethanol;yttrium?
1-phenyl-2-sulfanylethanol;yttrium has a molecular weight of 242.13 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-sulfanylethanol;yttrium is sourced from PubChem (CID 59775673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).