ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate

C10H10ClNO3S — CID 117059112

IUPACethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate
SMILESCCOC(=O)C(N=O)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3S/c1-2-15-10(13)9(12-14)16-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3
InChIKeyRRQIMPWQSXWKGX-UHFFFAOYSA-N
MW259.71 g/mol
LogP3.09
Rot. Bonds5

About ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate

ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate (PubChem CID 117059112) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate
PubChem CID117059112
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Nameethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate
SMILESCCOC(=O)C(N=O)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3S/c1-2-15-10(13)9(12-14)16-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3
InChIKeyRRQIMPWQSXWKGX-UHFFFAOYSA-N
XLogP3.09
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Chlorophenyl)sulfanylethyl acetate
CID 303081
Ethyl [(4-Chlorophenyl)thio]acetate
CID 257604
Ethyl 2-[[chloro-(4-chlorophenyl)sulfanylmethylidene]amino]acetate
CID 134989485
ethyl (2R)-2-(4-chlorophenyl)sulfanyl-2-cyanoacetate
CID 155931688
2-(Diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate
CID 37287
Ethyl 3-[(4-chlorophenyl)thio]propanoate
CID 2796782
Ethyl ({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)acetate
CID 10468549
Ethyl 2-nitro-2-phenylsulfanylacetate
CID 13499021
Ethyl 2-(4-chlorophenyl)sulfanylpropanoate
CID 13598466
4-(p-Chlorophenylthio)butyl acetate
CID 22762117
(4-Chlorophenyl)-(2-ethoxy-2-oxoethyl)-methylsulfanium
CID 58965266
[2-(4-Chlorophenyl)sulfanylethylamino] acetate
CID 87962725

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate (CID 117059112) is ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate is CCOC(=O)C(N=O)Sc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate?
The InChIKey is RRQIMPWQSXWKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c1-2-15-10(13)9(12-14)16-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate?
ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate has a molecular weight of 259.71 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)sulfanyl-2-nitrosoacetate is sourced from PubChem (CID 117059112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).