5-methylsulfanyl-2-trimethylsilyloxybenzoic acid

C11H16O3SSi — CID 167737530

IUPAC5-methylsulfanyl-2-trimethylsilyloxybenzoic acid
SMILESCSc1ccc(O[Si](C)(C)C)c(C(=O)O)c1
InChIInChI=1S/C11H16O3SSi/c1-15-8-5-6-10(14-16(2,3)4)9(7-8)11(12)13/h5-7H,1-4H3,(H,12,13)
InChIKeyAZERNWUEPOOXAT-UHFFFAOYSA-N
MW256.40 g/mol
LogP3.32
Rot. Bonds4

About 5-methylsulfanyl-2-trimethylsilyloxybenzoic acid

5-methylsulfanyl-2-trimethylsilyloxybenzoic acid (PubChem CID 167737530) has the molecular formula C11H16O3SSi and a molecular weight of 256.40 g/mol. Its IUPAC name is 5-methylsulfanyl-2-trimethylsilyloxybenzoic acid.

Molecular Properties

Compound Name5-methylsulfanyl-2-trimethylsilyloxybenzoic acid
PubChem CID167737530
Molecular FormulaC11H16O3SSi
Molecular Weight256.40 g/mol
Exact Mass256.06
IUPAC Name5-methylsulfanyl-2-trimethylsilyloxybenzoic acid
SMILESCSc1ccc(O[Si](C)(C)C)c(C(=O)O)c1
InChIInChI=1S/C11H16O3SSi/c1-15-8-5-6-10(14-16(2,3)4)9(7-8)11(12)13/h5-7H,1-4H3,(H,12,13)
InChIKeyAZERNWUEPOOXAT-UHFFFAOYSA-N
XLogP3.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid
CID 167714402
ethane;2-hydroxy-5-methylsulfanylbenzoic acid
CID 142393561
5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid
CID 167733328
4-methylsulfanyl-2-propanoylbenzoic acid
CID 134649977
5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid
CID 167719114
5-ethylsulfanyl-2-methoxybenzoic acid;methanamine
CID 166157652
methyl 2-amino-5-methylsulfanylbenzoate
CID 12719204
1-(5-methylsulfanyl-2-propoxyphenyl)ethanone
CID 70152546
4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid
CID 81308953
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
4-(4-methylsulfanylphenoxy)pyridine-3-carboxylic acid
CID 81226086
2-methyl-4-(4-methylsulfanylphenoxy)benzoic acid
CID 63649360

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2-trimethylsilyloxybenzoic acid?
The IUPAC name of 5-methylsulfanyl-2-trimethylsilyloxybenzoic acid (CID 167737530) is 5-methylsulfanyl-2-trimethylsilyloxybenzoic acid.
What is the SMILES notation for 5-methylsulfanyl-2-trimethylsilyloxybenzoic acid?
The canonical SMILES for 5-methylsulfanyl-2-trimethylsilyloxybenzoic acid is CSc1ccc(O[Si](C)(C)C)c(C(=O)O)c1.
What is the InChIKey of 5-methylsulfanyl-2-trimethylsilyloxybenzoic acid?
The InChIKey is AZERNWUEPOOXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3SSi/c1-15-8-5-6-10(14-16(2,3)4)9(7-8)11(12)13/h5-7H,1-4H3,(H,12,13).
What are the key properties of 5-methylsulfanyl-2-trimethylsilyloxybenzoic acid?
5-methylsulfanyl-2-trimethylsilyloxybenzoic acid has a molecular weight of 256.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-trimethylsilyloxybenzoic acid is sourced from PubChem (CID 167737530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).