1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one

C17H14O2S2 — CID 2997536

IUPAC1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one
SMILESO=C(CC(Sc1ccccc1)c1cccs1)c1ccco1
InChIInChI=1S/C17H14O2S2/c18-14(15-8-4-10-19-15)12-17(16-9-5-11-20-16)21-13-6-2-1-3-7-13/h1-11,17H,12H2
InChIKeyRHLBDJJJWVVUOQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.45
Rot. Bonds6

About 1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one

1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one (PubChem CID 2997536) has the molecular formula C17H14O2S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one
PubChem CID2997536
Molecular FormulaC17H14O2S2
Molecular Weight314.43 g/mol
Exact Mass314.04
IUPAC Name1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one
SMILESO=C(CC(Sc1ccccc1)c1cccs1)c1ccco1
InChIInChI=1S/C17H14O2S2/c18-14(15-8-4-10-19-15)12-17(16-9-5-11-20-16)21-13-6-2-1-3-7-13/h1-11,17H,12H2
InChIKeyRHLBDJJJWVVUOQ-UHFFFAOYSA-N
XLogP5.45
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one (CID 2997536) is 1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one is O=C(CC(Sc1ccccc1)c1cccs1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one?
The InChIKey is RHLBDJJJWVVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S2/c18-14(15-8-4-10-19-15)12-17(16-9-5-11-20-16)21-13-6-2-1-3-7-13/h1-11,17H,12H2.
What are the key properties of 1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one?
1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one has a molecular weight of 314.43 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-phenylsulfanyl-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 2997536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).