[(E)-3-phenylsulfanylprop-2-enyl] acetate

C11H12O2S — CID 11095834

IUPAC[(E)-3-phenylsulfanylprop-2-enyl] acetate
SMILESCC(=O)OC/C=C/Sc1ccccc1
InChIInChI=1S/C11H12O2S/c1-10(12)13-8-5-9-14-11-6-3-2-4-7-11/h2-7,9H,8H2,1H3/b9-5+
InChIKeyRXYODXSRCUWVRQ-WEVVVXLNSA-N
MW208.28 g/mol
LogP2.86
Rot. Bonds4

About [(E)-3-phenylsulfanylprop-2-enyl] acetate

[(E)-3-phenylsulfanylprop-2-enyl] acetate (PubChem CID 11095834) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is [(E)-3-phenylsulfanylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-phenylsulfanylprop-2-enyl] acetate
PubChem CID11095834
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name[(E)-3-phenylsulfanylprop-2-enyl] acetate
SMILESCC(=O)OC/C=C/Sc1ccccc1
InChIInChI=1S/C11H12O2S/c1-10(12)13-8-5-9-14-11-6-3-2-4-7-11/h2-7,9H,8H2,1H3/b9-5+
InChIKeyRXYODXSRCUWVRQ-WEVVVXLNSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylsulfanylprop-2-enyl] acetate?
The IUPAC name of [(E)-3-phenylsulfanylprop-2-enyl] acetate (CID 11095834) is [(E)-3-phenylsulfanylprop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-phenylsulfanylprop-2-enyl] acetate?
The canonical SMILES for [(E)-3-phenylsulfanylprop-2-enyl] acetate is CC(=O)OC/C=C/Sc1ccccc1.
What is the InChIKey of [(E)-3-phenylsulfanylprop-2-enyl] acetate?
The InChIKey is RXYODXSRCUWVRQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H12O2S/c1-10(12)13-8-5-9-14-11-6-3-2-4-7-11/h2-7,9H,8H2,1H3/b9-5+.
What are the key properties of [(E)-3-phenylsulfanylprop-2-enyl] acetate?
[(E)-3-phenylsulfanylprop-2-enyl] acetate has a molecular weight of 208.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylsulfanylprop-2-enyl] acetate is sourced from PubChem (CID 11095834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).