(4-chlorophenyl)methyl 2-phenylsulfanylacetate

C15H13ClO2S — CID 533039

IUPAC(4-chlorophenyl)methyl 2-phenylsulfanylacetate
SMILESO=C(CSc1ccccc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO2S/c16-13-8-6-12(7-9-13)10-18-15(17)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyZHIZABUTNCVGJX-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.18
Rot. Bonds5

About (4-chlorophenyl)methyl 2-phenylsulfanylacetate

(4-chlorophenyl)methyl 2-phenylsulfanylacetate (PubChem CID 533039) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-phenylsulfanylacetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-phenylsulfanylacetate
PubChem CID533039
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name(4-chlorophenyl)methyl 2-phenylsulfanylacetate
SMILESO=C(CSc1ccccc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO2S/c16-13-8-6-12(7-9-13)10-18-15(17)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyZHIZABUTNCVGJX-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)methyl 2-phenylsulfanylacetate
CID 533038
benzyl 2-(4-methylphenyl)sulfanylacetate
CID 162405759
benzyl 2-(3-aminophenyl)sulfanylacetate
CID 69441434
benzyl 2-(4-cyanophenyl)sulfanylacetate
CID 22666601
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl 2-phenylsulfanylacetate
CID 4846573
(4-chlorophenyl)methyl 2-anilinoacetate
CID 65127190
prop-2-enyl 2-phenylsulfanylacetate
CID 12778583
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 55321524
(4-chlorophenyl)methyl 3-amino-3-oxo-2-phenylpropanoate
CID 129239472
benzyl 2-methylsulfanylacetate
CID 89146896
benzyl 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetate
CID 5004375
[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 55321562

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-phenylsulfanylacetate?
The IUPAC name of (4-chlorophenyl)methyl 2-phenylsulfanylacetate (CID 533039) is (4-chlorophenyl)methyl 2-phenylsulfanylacetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-phenylsulfanylacetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-phenylsulfanylacetate is O=C(CSc1ccccc1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-phenylsulfanylacetate?
The InChIKey is ZHIZABUTNCVGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c16-13-8-6-12(7-9-13)10-18-15(17)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2.
What are the key properties of (4-chlorophenyl)methyl 2-phenylsulfanylacetate?
(4-chlorophenyl)methyl 2-phenylsulfanylacetate has a molecular weight of 292.79 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-phenylsulfanylacetate is sourced from PubChem (CID 533039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).