phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone

C16H18OS — CID 126595551

IUPACphenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone
SMILESCS(C)(C)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18OS/c1-18(2,3)15-11-9-14(10-12-15)16(17)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyVZLJOQRNPMUEHL-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.97
Rot. Bonds3

About phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone

phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone (PubChem CID 126595551) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone
PubChem CID126595551
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Namephenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone
SMILESCS(C)(C)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18OS/c1-18(2,3)15-11-9-14(10-12-15)16(17)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyVZLJOQRNPMUEHL-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
4-benzoylbenzenesulfonamide
CID 70209200
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
2,2-dimethylpropane;diphenylmethanone
CID 159191976

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone?
The IUPAC name of phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone (CID 126595551) is phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone.
What is the SMILES notation for phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone?
The canonical SMILES for phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone is CS(C)(C)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone?
The InChIKey is VZLJOQRNPMUEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-18(2,3)15-11-9-14(10-12-15)16(17)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone?
phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone has a molecular weight of 258.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone is sourced from PubChem (CID 126595551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).