1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone

C16H16OS — CID 65142436

IUPAC1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
SMILESCc1cc(C)cc(C(=O)CSc2ccccc2)c1
InChIInChI=1S/C16H16OS/c1-12-8-13(2)10-14(9-12)16(17)11-18-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3
InChIKeyIWIHOAJHADWEJQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.28
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone

1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone (PubChem CID 65142436) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
PubChem CID65142436
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
SMILESCc1cc(C)cc(C(=O)CSc2ccccc2)c1
InChIInChI=1S/C16H16OS/c1-12-8-13(2)10-14(9-12)16(17)11-18-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3
InChIKeyIWIHOAJHADWEJQ-UHFFFAOYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-2-phenylsulfanylethanone
CID 79704304
1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone
CID 43413317
1-(3,4-dihydroxyphenyl)-2-phenylsulfanylethanone
CID 43218398
1-(3-bromophenyl)-2-phenylsulfanylethanone
CID 43413344
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
1-(4-phenacylsulfanylphenyl)propan-1-one
CID 82164519
1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone
CID 43802265
1-methyl-4-(2-phenylsulfanylacetyl)pyrrole-2-carboxamide
CID 34563226
1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone
CID 116543260
2-methoxy-5-(2-phenylsulfanylacetyl)benzoic acid
CID 82052354
N,N-dimethyl-3-phenacylsulfanylbenzamide
CID 84558154
2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone
CID 63407740

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone (CID 65142436) is 1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone is Cc1cc(C)cc(C(=O)CSc2ccccc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone?
The InChIKey is IWIHOAJHADWEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c1-12-8-13(2)10-14(9-12)16(17)11-18-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone?
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone has a molecular weight of 256.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone is sourced from PubChem (CID 65142436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).