ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate

C10H10ClFO2S — CID 43244553

IUPACethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate
SMILESCCOC(=O)CSc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFO2S/c1-2-14-10(13)6-15-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3
InChIKeyUUSOZAFGRFDPGG-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.13
Rot. Bonds4

About ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate

ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate (PubChem CID 43244553) has the molecular formula C10H10ClFO2S and a molecular weight of 248.71 g/mol. Its IUPAC name is ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate
PubChem CID43244553
Molecular FormulaC10H10ClFO2S
Molecular Weight248.71 g/mol
Exact Mass248.01
IUPAC Nameethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate
SMILESCCOC(=O)CSc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFO2S/c1-2-14-10(13)6-15-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3
InChIKeyUUSOZAFGRFDPGG-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate?
The IUPAC name of ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate (CID 43244553) is ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate?
The canonical SMILES for ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate is CCOC(=O)CSc1ccc(F)c(Cl)c1.
What is the InChIKey of ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate?
The InChIKey is UUSOZAFGRFDPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2S/c1-2-14-10(13)6-15-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate?
ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate has a molecular weight of 248.71 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 43244553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).