1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one

C17H18OS3 — CID 144550207

IUPAC1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one
SMILESC=C(SC(=C)c1sccc1CC(C)=O)c1sccc1CC
InChIInChI=1S/C17H18OS3/c1-5-14-6-8-19-16(14)12(3)21-13(4)17-15(7-9-20-17)10-11(2)18/h6-9H,3-5,10H2,1-2H3
InChIKeyRWWRIOORXYFGBS-UHFFFAOYSA-N
MW334.53 g/mol
LogP5.88
Rot. Bonds7

About 1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one

1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one (PubChem CID 144550207) has the molecular formula C17H18OS3 and a molecular weight of 334.53 g/mol. Its IUPAC name is 1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one
PubChem CID144550207
Molecular FormulaC17H18OS3
Molecular Weight334.53 g/mol
Exact Mass334.05
IUPAC Name1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one
SMILESC=C(SC(=C)c1sccc1CC(C)=O)c1sccc1CC
InChIInChI=1S/C17H18OS3/c1-5-14-6-8-19-16(14)12(3)21-13(4)17-15(7-9-20-17)10-11(2)18/h6-9H,3-5,10H2,1-2H3
InChIKeyRWWRIOORXYFGBS-UHFFFAOYSA-N
XLogP5.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.53
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one?
The IUPAC name of 1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one (CID 144550207) is 1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one.
What is the SMILES notation for 1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one?
The canonical SMILES for 1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one is C=C(SC(=C)c1sccc1CC(C)=O)c1sccc1CC.
What is the InChIKey of 1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one?
The InChIKey is RWWRIOORXYFGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS3/c1-5-14-6-8-19-16(14)12(3)21-13(4)17-15(7-9-20-17)10-11(2)18/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one?
1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one has a molecular weight of 334.53 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one is sourced from PubChem (CID 144550207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).