methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate

C11H14O3S — CID 117033992

IUPACmethyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate
SMILESCOC(=O)CSc1cc(C)ccc1OC
InChIInChI=1S/C11H14O3S/c1-8-4-5-9(13-2)10(6-8)15-7-11(12)14-3/h4-6H,7H2,1-3H3
InChIKeyZMGXFMOGWLRYOD-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.27
Rot. Bonds4

About methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate

methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate (PubChem CID 117033992) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate
PubChem CID117033992
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Namemethyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate
SMILESCOC(=O)CSc1cc(C)ccc1OC
InChIInChI=1S/C11H14O3S/c1-8-4-5-9(13-2)10(6-8)15-7-11(12)14-3/h4-6H,7H2,1-3H3
InChIKeyZMGXFMOGWLRYOD-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate
CID 117033993
methyl 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanylacetate
CID 114055409
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788521
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7676056
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 43232681
methyl 2-(2-methylphenyl)sulfanylacetate
CID 21235696
2,4-bis[(2-methoxy-2-oxoethyl)sulfanyl]phenolate
CID 19356368
methyl 3-(2-methoxy-4-methylphenoxy)butanoate
CID 43536054
methyl 3-(5-chloro-2-methoxyphenyl)sulfanylpropanoate
CID 117034051
methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 63835483
2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220191
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate?
The IUPAC name of methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate (CID 117033992) is methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate.
What is the SMILES notation for methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate?
The canonical SMILES for methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate is COC(=O)CSc1cc(C)ccc1OC.
What is the InChIKey of methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate?
The InChIKey is ZMGXFMOGWLRYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-8-4-5-9(13-2)10(6-8)15-7-11(12)14-3/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate?
methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate has a molecular weight of 226.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate is sourced from PubChem (CID 117033992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).