(1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium

C9H13OSY- — CID 158698260

IUPAC(1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium
SMILESCc1ccc[c-]c1[C@H](C)O.S.[Y]
InChIInChI=1S/C9H11O.H2S.Y/c1-7-5-3-4-6-9(7)8(2)10;;/h3-5,8,10H,1-2H3;1H2;/q-1;;/t8-;;/m0../s1
InChIKeyZPJZPKJYDHARTP-JZGIKJSDSA-N
MW258.18 g/mol
LogP1.96
Rot. Bonds1

About (1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium

(1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium (PubChem CID 158698260) has the molecular formula C9H13OSY- and a molecular weight of 258.18 g/mol. Its IUPAC name is (1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium.

Molecular Properties

Compound Name(1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium
PubChem CID158698260
Molecular FormulaC9H13OSY-
Molecular Weight258.18 g/mol
Exact Mass257.98
IUPAC Name(1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium
SMILESCc1ccc[c-]c1[C@H](C)O.S.[Y]
InChIInChI=1S/C9H11O.H2S.Y/c1-7-5-3-4-6-9(7)8(2)10;;/h3-5,8,10H,1-2H3;1H2;/q-1;;/t8-;;/m0../s1
InChIKeyZPJZPKJYDHARTP-JZGIKJSDSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 51.96
H-Bond Donors ≤ 51
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 (1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium?
The IUPAC name of (1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium (CID 158698260) is (1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium.
What is the SMILES notation for (1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium?
The canonical SMILES for (1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium is Cc1ccc[c-]c1[C@H](C)O.S.[Y].
What is the InChIKey of (1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium?
The InChIKey is ZPJZPKJYDHARTP-JZGIKJSDSA-N. The full InChI is InChI=1S/C9H11O.H2S.Y/c1-7-5-3-4-6-9(7)8(2)10;;/h3-5,8,10H,1-2H3;1H2;/q-1;;/t8-;;/m0../s1.
What are the key properties of (1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium?
(1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium has a molecular weight of 258.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium is sourced from PubChem (CID 158698260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).