ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate

C11H13ClO2S — CID 12630927

IUPACethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate
SMILESCCOC(=O)C(SC)c1ccccc1Cl
InChIInChI=1S/C11H13ClO2S/c1-3-14-11(13)10(15-2)8-6-4-5-7-9(8)12/h4-7,10H,3H2,1-2H3
InChIKeySTFMZHZFNUCUJY-UHFFFAOYSA-N
MW244.74 g/mol
LogP3.31
Rot. Bonds4

About ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate

ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate (PubChem CID 12630927) has the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate
PubChem CID12630927
Molecular FormulaC11H13ClO2S
Molecular Weight244.74 g/mol
Exact Mass244.03
IUPAC Nameethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate
SMILESCCOC(=O)C(SC)c1ccccc1Cl
InChIInChI=1S/C11H13ClO2S/c1-3-14-11(13)10(15-2)8-6-4-5-7-9(8)12/h4-7,10H,3H2,1-2H3
InChIKeySTFMZHZFNUCUJY-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-methylphenyl)-2-methylsulfanylacetate
CID 12946319
triethyl 2-(2-chlorophenyl)ethane-1,1,2-tricarboxylate
CID 102417450
ethyl 2-[2-(2-ethoxy-1-methylsulfanyl-2-oxoethyl)anilino]propanoate
CID 91740541
ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
ethyl 3-bromo-3-(2-chlorophenyl)-2-oxopropanoate
CID 22437394
ethyl 2-(2-chlorophenyl)-2-phenoxyacetate
CID 117065643
ethyl 2-(2-chlorophenyl)-3-phenylpropanoate
CID 169227908
ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate
CID 139713807
ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate
CID 121224519
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117333177
propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride
CID 141274241

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate (CID 12630927) is ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate is CCOC(=O)C(SC)c1ccccc1Cl.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate?
The InChIKey is STFMZHZFNUCUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2S/c1-3-14-11(13)10(15-2)8-6-4-5-7-9(8)12/h4-7,10H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate?
ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate has a molecular weight of 244.74 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate is sourced from PubChem (CID 12630927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).