1-cyclopentylethyl 2-phenylsulfanylacetate

C15H20O2S — CID 533052

IUPAC1-cyclopentylethyl 2-phenylsulfanylacetate
SMILESCC(OC(=O)CSc1ccccc1)C1CCCC1
InChIInChI=1S/C15H20O2S/c1-12(13-7-5-6-8-13)17-15(16)11-18-14-9-3-2-4-10-14/h2-4,9-10,12-13H,5-8,11H2,1H3
InChIKeyFSWCJCGGAHDFEM-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.90
Rot. Bonds5

About 1-cyclopentylethyl 2-phenylsulfanylacetate

1-cyclopentylethyl 2-phenylsulfanylacetate (PubChem CID 533052) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-cyclopentylethyl 2-phenylsulfanylacetate.

Molecular Properties

Compound Name1-cyclopentylethyl 2-phenylsulfanylacetate
PubChem CID533052
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name1-cyclopentylethyl 2-phenylsulfanylacetate
SMILESCC(OC(=O)CSc1ccccc1)C1CCCC1
InChIInChI=1S/C15H20O2S/c1-12(13-7-5-6-8-13)17-15(16)11-18-14-9-3-2-4-10-14/h2-4,9-10,12-13H,5-8,11H2,1H3
InChIKeyFSWCJCGGAHDFEM-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta[b]furan-2-one
CID 10037020
(3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta[b]furan-2-one
CID 10609754
(Phenylthio)acetic acid, cyclohexyl ester
CID 533051
(3S,4R,5R)-5-(2-hydroxyethyl)-3-phenylsulfanyl-4-prop-2-enyloxolan-2-one
CID 44580072
(3S,4R,5R)-3-phenylsulfanyl-4,5-bis(prop-2-enyl)oxolan-2-one
CID 44580074
(3S,4R,5R)-5-but-3-enyl-3-phenylsulfanyl-4-prop-2-enyloxolan-2-one
CID 44580075
(3S,3aR,7aR)-3-phenylsulfanyl-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one
CID 44580076
(3S,3aR,8aR)-3-phenylsulfanyl-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
CID 44580111
14738-27-3
CID 271492
(Phenylthio)acetic acid, butyl ester
CID 181774
(Phenylthio)acetic acid, octyl ester
CID 531629
Ethyl 3-((4-methylphenyl)thio)propionate
CID 3020476

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylethyl 2-phenylsulfanylacetate?
The IUPAC name of 1-cyclopentylethyl 2-phenylsulfanylacetate (CID 533052) is 1-cyclopentylethyl 2-phenylsulfanylacetate.
What is the SMILES notation for 1-cyclopentylethyl 2-phenylsulfanylacetate?
The canonical SMILES for 1-cyclopentylethyl 2-phenylsulfanylacetate is CC(OC(=O)CSc1ccccc1)C1CCCC1.
What is the InChIKey of 1-cyclopentylethyl 2-phenylsulfanylacetate?
The InChIKey is FSWCJCGGAHDFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-12(13-7-5-6-8-13)17-15(16)11-18-14-9-3-2-4-10-14/h2-4,9-10,12-13H,5-8,11H2,1H3.
What are the key properties of 1-cyclopentylethyl 2-phenylsulfanylacetate?
1-cyclopentylethyl 2-phenylsulfanylacetate has a molecular weight of 264.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylethyl 2-phenylsulfanylacetate is sourced from PubChem (CID 533052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).