2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone

C13H10F2OS2 — CID 43224978

IUPAC2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CSc2ccc(F)c(F)c2)s1
InChIInChI=1S/C13H10F2OS2/c1-8-2-5-13(18-8)12(16)7-17-9-3-4-10(14)11(15)6-9/h2-6H,7H2,1H3
InChIKeyOVMWZUPOMZZEAB-UHFFFAOYSA-N
MW284.35 g/mol
LogP4.31
Rot. Bonds4

About 2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone

2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 43224978) has the molecular formula C13H10F2OS2 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone
PubChem CID43224978
Molecular FormulaC13H10F2OS2
Molecular Weight284.35 g/mol
Exact Mass284.01
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CSc2ccc(F)c(F)c2)s1
InChIInChI=1S/C13H10F2OS2/c1-8-2-5-13(18-8)12(16)7-17-9-3-4-10(14)11(15)6-9/h2-6H,7H2,1H3
InChIKeyOVMWZUPOMZZEAB-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone
CID 43224922
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7737232
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 43222169
2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43222109
1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone
CID 43224935
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41096263
2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene
CID 10912143
(5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301284
1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one
CID 117034104
2-(3,4-difluorophenyl)sulfanyl-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone
CID 7737090
2-(3,4-difluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 51073254

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone (CID 43224978) is 2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CSc2ccc(F)c(F)c2)s1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is OVMWZUPOMZZEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2OS2/c1-8-2-5-13(18-8)12(16)7-17-9-3-4-10(14)11(15)6-9/h2-6H,7H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone?
2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 284.35 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 43224978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).