ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate

C10H11ClFNO2S — CID 66078116

IUPACethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(F)c(Cl)cc1N
InChIInChI=1S/C10H11ClFNO2S/c1-2-15-10(14)5-16-9-4-7(12)6(11)3-8(9)13/h3-4H,2,5,13H2,1H3
InChIKeyTXIAVHVVNQORQH-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.72
Rot. Bonds4

About ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate

ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate (PubChem CID 66078116) has the molecular formula C10H11ClFNO2S and a molecular weight of 263.72 g/mol. Its IUPAC name is ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate
PubChem CID66078116
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72 g/mol
Exact Mass263.02
IUPAC Nameethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(F)c(Cl)cc1N
InChIInChI=1S/C10H11ClFNO2S/c1-2-15-10(14)5-16-9-4-7(12)6(11)3-8(9)13/h3-4H,2,5,13H2,1H3
InChIKeyTXIAVHVVNQORQH-UHFFFAOYSA-N
XLogP2.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethyl 2-(2-amino-4-chloro-5-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

Related Compounds

2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide
CID 114233204
ethyl 2-(4-amino-2-fluoro-5-methoxyphenyl)sulfanylacetate
CID 107260171
ethyl 2-(2-amino-4-chloro-5-fluoroanilino)acetate
CID 66079161
methyl 2-(2-amino-5-fluoro-4-iodophenyl)sulfanylacetate
CID 66102332
2-(2-amino-4,5-difluorophenyl)sulfanyl-N,N-diethylacetamide
CID 112751943
ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate
CID 62531329
ethyl 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)sulfanyl]acetate
CID 43618254
ethyl 2-[2-amino-5-(methylcarbamoyl)phenyl]sulfanylacetate
CID 63357249
ethyl 2-(2-chloro-4-cyanophenyl)sulfanylacetate
CID 63088722
ethyl 2-(5-chloro-4-fluoro-2-formylphenyl)acetate
CID 171005424
ethyl 3-(5-chloro-2,4-difluorophenyl)-3-oxopropanoate
CID 156848780
methyl 2-(4-chloro-5-fluoro-2-nitrophenyl)sulfanylacetate
CID 15644610

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate?
The IUPAC name of ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate (CID 66078116) is ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate?
The canonical SMILES for ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate is CCOC(=O)CSc1cc(F)c(Cl)cc1N.
What is the InChIKey of ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate?
The InChIKey is TXIAVHVVNQORQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2S/c1-2-15-10(14)5-16-9-4-7(12)6(11)3-8(9)13/h3-4H,2,5,13H2,1H3.
What are the key properties of ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate?
ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate has a molecular weight of 263.72 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 66078116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).