2,4-di(thiophen-3-yl)pentan-3-one

C13H14OS2 — CID 67673002

IUPAC2,4-di(thiophen-3-yl)pentan-3-one
SMILESCC(C(=O)C(C)c1ccsc1)c1ccsc1
InChIInChI=1S/C13H14OS2/c1-9(11-3-5-15-7-11)13(14)10(2)12-4-6-16-8-12/h3-10H,1-2H3
InChIKeyDJCAPTWYPURCJC-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.29
Rot. Bonds4

About 2,4-di(thiophen-3-yl)pentan-3-one

2,4-di(thiophen-3-yl)pentan-3-one (PubChem CID 67673002) has the molecular formula C13H14OS2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,4-di(thiophen-3-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-di(thiophen-3-yl)pentan-3-one
PubChem CID67673002
Molecular FormulaC13H14OS2
Molecular Weight250.39 g/mol
Exact Mass250.05
IUPAC Name2,4-di(thiophen-3-yl)pentan-3-one
SMILESCC(C(=O)C(C)c1ccsc1)c1ccsc1
InChIInChI=1S/C13H14OS2/c1-9(11-3-5-15-7-11)13(14)10(2)12-4-6-16-8-12/h3-10H,1-2H3
InChIKeyDJCAPTWYPURCJC-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651
2-thiophen-3-ylpropanoic acid;hydrochloride
CID 67842901
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
1-thiophen-3-ylethyl acetate
CID 59753762
3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
CID 115731293
2-sulfanyl-3-thiophen-3-ylbutanoic acid
CID 174552094
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
CID 119202682
(2S,3S)-3-methyl-2-(2-thiophen-3-ylpropanoylamino)pentanoic acid
CID 91644897
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 119410172
3-phenyl-3-(2-thiophen-3-ylpropanoylamino)propanoic acid
CID 75513225

Frequently Asked Questions

What is the IUPAC name of 2,4-di(thiophen-3-yl)pentan-3-one?
The IUPAC name of 2,4-di(thiophen-3-yl)pentan-3-one (CID 67673002) is 2,4-di(thiophen-3-yl)pentan-3-one.
What is the SMILES notation for 2,4-di(thiophen-3-yl)pentan-3-one?
The canonical SMILES for 2,4-di(thiophen-3-yl)pentan-3-one is CC(C(=O)C(C)c1ccsc1)c1ccsc1.
What is the InChIKey of 2,4-di(thiophen-3-yl)pentan-3-one?
The InChIKey is DJCAPTWYPURCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS2/c1-9(11-3-5-15-7-11)13(14)10(2)12-4-6-16-8-12/h3-10H,1-2H3.
What are the key properties of 2,4-di(thiophen-3-yl)pentan-3-one?
2,4-di(thiophen-3-yl)pentan-3-one has a molecular weight of 250.39 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(thiophen-3-yl)pentan-3-one is sourced from PubChem (CID 67673002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).