1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone

C17H18OS — CID 62766577

IUPAC1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
SMILESCc1cccc(CSCC(=O)c2ccccc2C)c1
InChIInChI=1S/C17H18OS/c1-13-6-5-8-15(10-13)11-19-12-17(18)16-9-4-3-7-14(16)2/h3-10H,11-12H2,1-2H3
InChIKeyFYYMYAJRZAIBGK-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.42
Rot. Bonds5

About 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone

1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone (PubChem CID 62766577) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
PubChem CID62766577
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
SMILESCc1cccc(CSCC(=O)c2ccccc2C)c1
InChIInChI=1S/C17H18OS/c1-13-6-5-8-15(10-13)11-19-12-17(18)16-9-4-3-7-14(16)2/h3-10H,11-12H2,1-2H3
InChIKeyFYYMYAJRZAIBGK-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-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 62765201
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 60639224
1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 62771239
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
2-[(3-methylphenyl)methylsulfanylmethyl]benzoic acid
CID 62769683
1-(3-bromothiophen-2-yl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 62770404
ethyl 2-[2-(2-methylphenyl)-2-oxoethyl]sulfanylacetate
CID 43801780
3-methyl-2-[(3-methylphenyl)methylsulfanyl]benzoic acid
CID 107112680
(2-methylphenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4997936
1-(2-methylphenyl)-2-methylsulfanylethanone
CID 14815227
1-[2-[(3-methylphenyl)methylsulfanyl]phenyl]propan-1-one
CID 112677690
1-(azepan-1-yl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 60634792

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone?
The IUPAC name of 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone (CID 62766577) is 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone?
The canonical SMILES for 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone is Cc1cccc(CSCC(=O)c2ccccc2C)c1.
What is the InChIKey of 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone?
The InChIKey is FYYMYAJRZAIBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-13-6-5-8-15(10-13)11-19-12-17(18)16-9-4-3-7-14(16)2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone?
1-(2-methylphenyl)-2-[(3-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-[(3-methylphenyl)methylsulfanyl]ethanone is sourced from PubChem (CID 62766577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).