1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone

C15H14OS2 — CID 43413317

IUPAC1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone
SMILESCSc1ccc(C(=O)CSc2ccccc2)cc1
InChIInChI=1S/C15H14OS2/c1-17-13-9-7-12(8-10-13)15(16)11-18-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyTYRJRJUANZFFNX-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.38
Rot. Bonds5

About 1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone

1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone (PubChem CID 43413317) has the molecular formula C15H14OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone
PubChem CID43413317
Molecular FormulaC15H14OS2
Molecular Weight274.41 g/mol
Exact Mass274.05
IUPAC Name1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone
SMILESCSc1ccc(C(=O)CSc2ccccc2)cc1
InChIInChI=1S/C15H14OS2/c1-17-13-9-7-12(8-10-13)15(16)11-18-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyTYRJRJUANZFFNX-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-phenacylsulfanylphenyl)propan-1-one
CID 82164519
1,9-bis(4-methylsulfanylphenyl)nonane-1,9-dione;methylsulfanylbenzene
CID 161175426
2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
CID 61292075
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
CID 65142436
1-(3,4-dihydroxyphenyl)-2-phenylsulfanylethanone
CID 43218398
1-(3-fluoro-5-methylphenyl)-2-phenylsulfanylethanone
CID 79704304
1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone
CID 175876959
1-(4-methylsulfanylphenyl)-2-propylsulfanylethanone
CID 43802078
2-(1,3-dihydroisoindol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 62206768
1-(4-methylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
CID 43412564
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
1-phenyl-4-phenylsulfanylbutane-1,3-dione
CID 14288880

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone (CID 43413317) is 1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone is CSc1ccc(C(=O)CSc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone?
The InChIKey is TYRJRJUANZFFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS2/c1-17-13-9-7-12(8-10-13)15(16)11-18-14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone?
1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone has a molecular weight of 274.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone is sourced from PubChem (CID 43413317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).