2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone

C16H16O2S2 — CID 61292075

IUPAC2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
SMILESCOc1ccccc1SCC(=O)c1ccc(SC)cc1
InChIInChI=1S/C16H16O2S2/c1-18-15-5-3-4-6-16(15)20-11-14(17)12-7-9-13(19-2)10-8-12/h3-10H,11H2,1-2H3
InChIKeyKWHRJHDTJCYIPU-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.39
Rot. Bonds6

About 2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone

2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 61292075) has the molecular formula C16H16O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
PubChem CID61292075
Molecular FormulaC16H16O2S2
Molecular Weight304.44 g/mol
Exact Mass304.06
IUPAC Name2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
SMILESCOc1ccccc1SCC(=O)c1ccc(SC)cc1
InChIInChI=1S/C16H16O2S2/c1-18-15-5-3-4-6-16(15)20-11-14(17)12-7-9-13(19-2)10-8-12/h3-10H,11H2,1-2H3
InChIKeyKWHRJHDTJCYIPU-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-methoxyphenyl)sulfanylacetyl]benzonitrile
CID 61290551
1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone
CID 43413317
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyphenyl)sulfanylethanone
CID 60593538
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 43412223
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone
CID 79700591
1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)sulfanylethanone
CID 43231211
2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone
CID 91880310
2-(3,4-dimethoxy-2-methylphenyl)sulfanyl-1-phenylethanone
CID 91880309
1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7206085
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
2-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 43412234
1-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 91880273

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone (CID 61292075) is 2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone is COc1ccccc1SCC(=O)c1ccc(SC)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is KWHRJHDTJCYIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S2/c1-18-15-5-3-4-6-16(15)20-11-14(17)12-7-9-13(19-2)10-8-12/h3-10H,11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone?
2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 304.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 61292075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).