ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate

C13H16Cl2O2S — CID 83038841

IUPACethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate
SMILESCCCC(Sc1cc(Cl)ccc1Cl)C(=O)OCC
InChIInChI=1S/C13H16Cl2O2S/c1-3-5-11(13(16)17-4-2)18-12-8-9(14)6-7-10(12)15/h6-8,11H,3-5H2,1-2H3
InChIKeyAFEWPMCXTJXXPG-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.82
Rot. Bonds6

About ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate

ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate (PubChem CID 83038841) has the molecular formula C13H16Cl2O2S and a molecular weight of 307.24 g/mol. Its IUPAC name is ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate.

Molecular Properties

Compound Nameethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate
PubChem CID83038841
Molecular FormulaC13H16Cl2O2S
Molecular Weight307.24 g/mol
Exact Mass306.02
IUPAC Nameethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate
SMILESCCCC(Sc1cc(Cl)ccc1Cl)C(=O)OCC
InChIInChI=1S/C13H16Cl2O2S/c1-3-5-11(13(16)17-4-2)18-12-8-9(14)6-7-10(12)15/h6-8,11H,3-5H2,1-2H3
InChIKeyAFEWPMCXTJXXPG-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3,4-dichlorophenyl)sulfanylpentanoate
CID 83038097
ethyl 2-(5-carbonochloridoyl-2-chloro-4-fluorophenyl)sulfanylpentanoate
CID 139689331
2-(2,5-dichlorophenyl)sulfanylbutanehydrazide
CID 63582266
3-amino-2-(2,5-dichlorophenyl)sulfanylpropanoic acid
CID 64695273
ethyl 2-(2-methylphenyl)sulfanylpentanoate
CID 79004796
ethyl 2-(2,5-dichlorophenoxy)pentanoate
CID 83038151
ethyl N-[2-(2,5-dichlorophenyl)sulfanylpropanoylamino]carbamate
CID 47266788
2-(5-amino-2-chlorophenyl)sulfanylpentanehydrazide
CID 83048344
2-(2,5-dichlorophenyl)sulfanylpentan-3-one
CID 60975325
ethyl 2-(4-chlorophenyl)sulfanylbutanoate
CID 11345949
propyl 2-[2-chloro-4-fluoro-5-(2-methylpropanoylamino)phenyl]sulfanylpentanoate
CID 139690310
ethyl 2-(4-fluorophenyl)sulfanylpentanoate
CID 79004770

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate?
The IUPAC name of ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate (CID 83038841) is ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate.
What is the SMILES notation for ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate?
The canonical SMILES for ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate is CCCC(Sc1cc(Cl)ccc1Cl)C(=O)OCC.
What is the InChIKey of ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate?
The InChIKey is AFEWPMCXTJXXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O2S/c1-3-5-11(13(16)17-4-2)18-12-8-9(14)6-7-10(12)15/h6-8,11H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate?
ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate has a molecular weight of 307.24 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate is sourced from PubChem (CID 83038841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).