1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione

C21H16O2S2 — CID 11850792

IUPAC1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
SMILESO=C(CCCC(=O)c1cc2ccccc2s1)c1cc2ccccc2s1
InChIInChI=1S/C21H16O2S2/c22-16(20-12-14-6-1-3-10-18(14)24-20)8-5-9-17(23)21-13-15-7-2-4-11-19(15)25-21/h1-4,6-7,10-13H,5,8-9H2
InChIKeyOWOIXMIVOJTIBW-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.35
Rot. Bonds6

About 1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione

1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione (PubChem CID 11850792) has the molecular formula C21H16O2S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
PubChem CID11850792
Molecular FormulaC21H16O2S2
Molecular Weight364.49 g/mol
Exact Mass364.06
IUPAC Name1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
SMILESO=C(CCCC(=O)c1cc2ccccc2s1)c1cc2ccccc2s1
InChIInChI=1S/C21H16O2S2/c22-16(20-12-14-6-1-3-10-18(14)24-20)8-5-9-17(23)21-13-15-7-2-4-11-19(15)25-21/h1-4,6-7,10-13H,5,8-9H2
InChIKeyOWOIXMIVOJTIBW-UHFFFAOYSA-N
XLogP6.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 114965164
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CID 171632714
bis(1-benzothiophen-2-yl)methanone
CID 5330534
[2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate
CID 102589864
1-(1-benzothiophen-2-yl)-2-ethoxyethanone
CID 115783077
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione
CID 114910186
1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967597
1-(1-benzothiophen-2-yl)-2-(furan-2-yl)ethanone
CID 115795749
1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone
CID 61407072
1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one
CID 46232151
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione?
The IUPAC name of 1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione (CID 11850792) is 1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione.
What is the SMILES notation for 1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione?
The canonical SMILES for 1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione is O=C(CCCC(=O)c1cc2ccccc2s1)c1cc2ccccc2s1.
What is the InChIKey of 1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione?
The InChIKey is OWOIXMIVOJTIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2S2/c22-16(20-12-14-6-1-3-10-18(14)24-20)8-5-9-17(23)21-13-15-7-2-4-11-19(15)25-21/h1-4,6-7,10-13H,5,8-9H2.
What are the key properties of 1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione?
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione has a molecular weight of 364.49 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione is sourced from PubChem (CID 11850792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).