methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate

C11H14O4S — CID 117033993

IUPACmethyl 2-(2,4-dimethoxyphenyl)sulfanylacetate
SMILESCOC(=O)CSc1ccc(OC)cc1OC
InChIInChI=1S/C11H14O4S/c1-13-8-4-5-10(9(6-8)14-2)16-7-11(12)15-3/h4-6H,7H2,1-3H3
InChIKeyZSXVVYHECGNMJR-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.97
Rot. Bonds5

About methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate

methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate (PubChem CID 117033993) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dimethoxyphenyl)sulfanylacetate
PubChem CID117033993
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Namemethyl 2-(2,4-dimethoxyphenyl)sulfanylacetate
SMILESCOC(=O)CSc1ccc(OC)cc1OC
InChIInChI=1S/C11H14O4S/c1-13-8-4-5-10(9(6-8)14-2)16-7-11(12)15-3/h4-6H,7H2,1-3H3
InChIKeyZSXVVYHECGNMJR-UHFFFAOYSA-N
XLogP1.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate
CID 117033992
S-(2,4-dimethoxyphenyl) ethanethioate
CID 91656983
2-(2,5-dimethoxyphenyl)sulfanylacetate
CID 6928078
propan-2-yl 2-(4-amino-2-methoxyphenyl)sulfanylacetate
CID 79823041
methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 63835483
3-(2,4-dimethoxyphenyl)sulfanylbutanoic acid
CID 117033490
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7555281
3-(2,4-dimethoxyphenyl)sulfanylpropanenitrile
CID 117033972
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 23966002
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788503
methyl 2-(2-methylphenyl)sulfanylacetate
CID 21235696

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate?
The IUPAC name of methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate (CID 117033993) is methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate.
What is the SMILES notation for methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate?
The canonical SMILES for methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate is COC(=O)CSc1ccc(OC)cc1OC.
What is the InChIKey of methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate?
The InChIKey is ZSXVVYHECGNMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-13-8-4-5-10(9(6-8)14-2)16-7-11(12)15-3/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate?
methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate has a molecular weight of 242.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate is sourced from PubChem (CID 117033993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).