ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate

C11H11Cl2NO2S — CID 134989485

IUPACethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate
SMILESCCOC(=O)C/N=C(\Cl)Sc1ccc(Cl)cc1
InChIInChI=1S/C11H11Cl2NO2S/c1-2-16-10(15)7-14-11(13)17-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3/b14-11+
InChIKeyJREFGHRZOLNMIV-SDNWHVSQSA-N
MW292.19 g/mol
LogP3.59
Rot. Bonds4

About ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate

ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate (PubChem CID 134989485) has the molecular formula C11H11Cl2NO2S and a molecular weight of 292.19 g/mol. Its IUPAC name is ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate
PubChem CID134989485
Molecular FormulaC11H11Cl2NO2S
Molecular Weight292.19 g/mol
Exact Mass290.99
IUPAC Nameethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate
SMILESCCOC(=O)C/N=C(\Cl)Sc1ccc(Cl)cc1
InChIInChI=1S/C11H11Cl2NO2S/c1-2-16-10(15)7-14-11(13)17-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3/b14-11+
InChIKeyJREFGHRZOLNMIV-SDNWHVSQSA-N
XLogP3.59
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-[[chloro(phenylsulfanyl)methylidene]amino]acetate
CID 15650990
2-(Diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate
CID 37287
2-(Dimethylamino)ethyl 2-(4-chlorophenyl)sulfanyl-2-methylpropanoate
CID 354945
Ethyl 2-amino-3-(4-chlorophenyl)sulfanylpropanoate
CID 61934924
[(2R)-1-azido-3-(4-chlorophenyl)sulfanylpropan-2-yl] acetate
CID 102211335
Ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate
CID 117059112
Ethyl 2-[(4-chlorophenyl)sulfanylcarbonylamino]acetate
CID 117059727
2-(Diethylamino)ethyl [(4-chlorophenyl)sulfanyl]acetate--hydrogen chloride (1/1)
CID 138399247
Ethyl 2-[[(4-chlorophenyl)sulfanyl-(3-hydroxy-3-methylbutoxy)methylidene]amino]acetate
CID 177495520

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate?
The IUPAC name of ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate (CID 134989485) is ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate.
What is the SMILES notation for ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate?
The canonical SMILES for ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate is CCOC(=O)C/N=C(\Cl)Sc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate?
The InChIKey is JREFGHRZOLNMIV-SDNWHVSQSA-N. The full InChI is InChI=1S/C11H11Cl2NO2S/c1-2-16-10(15)7-14-11(13)17-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3/b14-11+.
What are the key properties of ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate?
ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate has a molecular weight of 292.19 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate is sourced from PubChem (CID 134989485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).