methyl 2-(4-methylphenyl)sulfinylacetate

C10H12O3S — CID 13012318

IUPACmethyl 2-(4-methylphenyl)sulfinylacetate
SMILESCOC(=O)CS(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12O3S/c1-8-3-5-9(6-4-8)14(12)7-10(11)13-2/h3-6H,7H2,1-2H3
InChIKeyOYRGZVMTNKAJPR-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.28
Rot. Bonds3

About methyl 2-(4-methylphenyl)sulfinylacetate

methyl 2-(4-methylphenyl)sulfinylacetate (PubChem CID 13012318) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is methyl 2-(4-methylphenyl)sulfinylacetate.

Molecular Properties

Compound Namemethyl 2-(4-methylphenyl)sulfinylacetate
PubChem CID13012318
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Namemethyl 2-(4-methylphenyl)sulfinylacetate
SMILESCOC(=O)CS(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12O3S/c1-8-3-5-9(6-4-8)14(12)7-10(11)13-2/h3-6H,7H2,1-2H3
InChIKeyOYRGZVMTNKAJPR-UHFFFAOYSA-N
XLogP1.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylphenyl)sulfinylacetate?
The IUPAC name of methyl 2-(4-methylphenyl)sulfinylacetate (CID 13012318) is methyl 2-(4-methylphenyl)sulfinylacetate.
What is the SMILES notation for methyl 2-(4-methylphenyl)sulfinylacetate?
The canonical SMILES for methyl 2-(4-methylphenyl)sulfinylacetate is COC(=O)CS(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-(4-methylphenyl)sulfinylacetate?
The InChIKey is OYRGZVMTNKAJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-8-3-5-9(6-4-8)14(12)7-10(11)13-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(4-methylphenyl)sulfinylacetate?
methyl 2-(4-methylphenyl)sulfinylacetate has a molecular weight of 212.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylphenyl)sulfinylacetate is sourced from PubChem (CID 13012318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).