2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone

C14H12F2OS2 — CID 43224827

IUPAC2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CSc2ccc(F)cc2F)s1
InChIInChI=1S/C14H12F2OS2/c1-2-10-4-6-14(19-10)12(17)8-18-13-5-3-9(15)7-11(13)16/h3-7H,2,8H2,1H3
InChIKeyBABJAJFYDVZWSX-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.56
Rot. Bonds5

About 2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone

2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 43224827) has the molecular formula C14H12F2OS2 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID43224827
Molecular FormulaC14H12F2OS2
Molecular Weight298.38 g/mol
Exact Mass298.03
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CSc2ccc(F)cc2F)s1
InChIInChI=1S/C14H12F2OS2/c1-2-10-4-6-14(19-10)12(17)8-18-13-5-3-9(15)7-11(13)16/h3-7H,2,8H2,1H3
InChIKeyBABJAJFYDVZWSX-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 43222169
2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43222190
2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43222109
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376823
2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone
CID 43226491
1-(5-ethylthiophen-2-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 8509121
2-(2,4-difluorophenyl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43224802
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
2-(2,4-difluorophenyl)sulfanylacetate
CID 7129456
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43612242

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone (CID 43224827) is 2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CSc2ccc(F)cc2F)s1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is BABJAJFYDVZWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2OS2/c1-2-10-4-6-14(19-10)12(17)8-18-13-5-3-9(15)7-11(13)16/h3-7H,2,8H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone?
2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 298.38 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 43224827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).