ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate

C10H12ClFN2O2S — CID 14461350

IUPACethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(NN)c(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O2S/c1-2-16-10(15)5-17-9-4-8(14-13)7(12)3-6(9)11/h3-4,14H,2,5,13H2,1H3
InChIKeyJGJCHQALIIROFF-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.42
Rot. Bonds5

About ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate

ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate (PubChem CID 14461350) has the molecular formula C10H12ClFN2O2S and a molecular weight of 278.74 g/mol. Its IUPAC name is ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate
PubChem CID14461350
Molecular FormulaC10H12ClFN2O2S
Molecular Weight278.74 g/mol
Exact Mass278.03
IUPAC Nameethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(NN)c(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O2S/c1-2-16-10(15)5-17-9-4-8(14-13)7(12)3-6(9)11/h3-4,14H,2,5,13H2,1H3
InChIKeyJGJCHQALIIROFF-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate?
The IUPAC name of ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate (CID 14461350) is ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate?
The canonical SMILES for ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate is CCOC(=O)CSc1cc(NN)c(F)cc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate?
The InChIKey is JGJCHQALIIROFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2S/c1-2-16-10(15)5-17-9-4-8(14-13)7(12)3-6(9)11/h3-4,14H,2,5,13H2,1H3.
What are the key properties of ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate?
ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate has a molecular weight of 278.74 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)sulfanylacetate is sourced from PubChem (CID 14461350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).