1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone

C17H18OS — CID 11161558

IUPAC1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone
SMILESCc1cc(C)c(SCC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C17H18OS/c1-12-9-13(2)17(14(3)10-12)19-11-16(18)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
InChIKeyBICZITAEOCAYCC-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.59
Rot. Bonds4

About 1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone

1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone (PubChem CID 11161558) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone
PubChem CID11161558
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone
SMILESCc1cc(C)c(SCC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C17H18OS/c1-12-9-13(2)17(14(3)10-12)19-11-16(18)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
InChIKeyBICZITAEOCAYCC-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 74501
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone?
The IUPAC name of 1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone (CID 11161558) is 1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone.
What is the SMILES notation for 1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone?
The canonical SMILES for 1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone is Cc1cc(C)c(SCC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone?
The InChIKey is BICZITAEOCAYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-12-9-13(2)17(14(3)10-12)19-11-16(18)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3.
What are the key properties of 1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone?
1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone has a molecular weight of 270.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,4,6-trimethylphenyl)sulfanylethanone is sourced from PubChem (CID 11161558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).