1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone

C17H18OS — CID 62771239

IUPAC1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
SMILESCc1ccccc1CSCC(=O)c1ccccc1C
InChIInChI=1S/C17H18OS/c1-13-7-3-5-9-15(13)11-19-12-17(18)16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3
InChIKeyBAZZYLSRNAWIQC-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.42
Rot. Bonds5

About 1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone

1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone (PubChem CID 62771239) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
PubChem CID62771239
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
SMILESCc1ccccc1CSCC(=O)c1ccccc1C
InChIInChI=1S/C17H18OS/c1-13-7-3-5-9-15(13)11-19-12-17(18)16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3
InChIKeyBAZZYLSRNAWIQC-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 62770713
1,2-bis(2-methylphenyl)ethanone
CID 11345119
ethyl 2-[2-(2-methylphenyl)-2-oxoethyl]sulfanylacetate
CID 43801780
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 62766577
1-(2-methylphenyl)-2-methylsulfanylethanone
CID 14815227
1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 131919044
1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 60623861
2-[(2-methylphenyl)methylsulfanyl]-N-prop-2-ynylacetamide
CID 78815263
ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
CID 2669314
2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100564139
2,2-dimethyl-3-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 79630032
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone?
The IUPAC name of 1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone (CID 62771239) is 1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone?
The canonical SMILES for 1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone is Cc1ccccc1CSCC(=O)c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone?
The InChIKey is BAZZYLSRNAWIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-13-7-3-5-9-15(13)11-19-12-17(18)16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone?
1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone has a molecular weight of 270.40 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone is sourced from PubChem (CID 62771239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).