lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate

C10H13LiOS — CID 23597029

IUPAClithium 2-ethyl-4-methyl-6-methylsulfanylphenolate
SMILESCCc1cc(C)cc(SC)c1[O-].[Li+]
InChIInChI=1S/C10H14OS.Li/c1-4-8-5-7(2)6-9(12-3)10(8)11;/h5-6,11H,4H2,1-3H3;/q;+1/p-1
InChIKeyZPDBLVXLZSNVRG-UHFFFAOYSA-M
MW188.22 g/mol
LogP-0.64
Rot. Bonds2

About lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate

lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate (PubChem CID 23597029) has the molecular formula C10H13LiOS and a molecular weight of 188.22 g/mol. Its IUPAC name is lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate.

Molecular Properties

Compound Namelithium 2-ethyl-4-methyl-6-methylsulfanylphenolate
PubChem CID23597029
Molecular FormulaC10H13LiOS
Molecular Weight188.22 g/mol
Exact Mass188.08
IUPAC Namelithium 2-ethyl-4-methyl-6-methylsulfanylphenolate
SMILESCCc1cc(C)cc(SC)c1[O-].[Li+]
InChIInChI=1S/C10H14OS.Li/c1-4-8-5-7(2)6-9(12-3)10(8)11;/h5-6,11H,4H2,1-3H3;/q;+1/p-1
InChIKeyZPDBLVXLZSNVRG-UHFFFAOYSA-M
XLogP-0.64
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene
CID 145419397
2-(bromomethyl)-1,3-diethyl-5-methylbenzene
CID 66954706
(2,6-diethyl-4-methylphenyl) acetate
CID 68505166
2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 10040352
4-bromo-1-ethyl-2-methylsulfanylbenzene
CID 91880753
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
(3-ethyl-2,5-dimethylphenyl)methanol
CID 59663906
2,6-diethyl-4-methylbenzenediazonium
CID 20674062
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
1,2-diethyl-4-methylbenzene;methane
CID 174446118
(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride
CID 66876860
3-ethyl-2-hydroxy-5-methylbenzaldehyde
CID 123167289

Frequently Asked Questions

What is the IUPAC name of lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate?
The IUPAC name of lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate (CID 23597029) is lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate.
What is the SMILES notation for lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate?
The canonical SMILES for lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate is CCc1cc(C)cc(SC)c1[O-].[Li+].
What is the InChIKey of lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate?
The InChIKey is ZPDBLVXLZSNVRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14OS.Li/c1-4-8-5-7(2)6-9(12-3)10(8)11;/h5-6,11H,4H2,1-3H3;/q;+1/p-1.
What are the key properties of lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate?
lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate has a molecular weight of 188.22 g/mol, XLogP of -0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate is sourced from PubChem (CID 23597029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).