(3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone

C18H20OS — CID 134123591

IUPAC(3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCSc1cccc(C(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C18H20OS/c1-11-9-12(2)14(4)17(13(11)3)18(19)15-7-6-8-16(10-15)20-5/h6-10H,1-5H3
InChIKeyZHAFSBUEJHUMOW-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.87
Rot. Bonds3

About (3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone

(3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 134123591) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is (3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name(3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID134123591
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name(3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCSc1cccc(C(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C18H20OS/c1-11-9-12(2)14(4)17(13(11)3)18(19)15-7-6-8-16(10-15)20-5/h6-10H,1-5H3
InChIKeyZHAFSBUEJHUMOW-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylsulfanylbenzoyl)benzoic acid
CID 91655850
(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone
CID 146007568
(3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 107998192
[4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone
CID 44720409
cyclohexyl-(3-methylsulfanylphenyl)methanone
CID 146007628
4-chloro-1-(3-methylsulfanylphenyl)butan-1-one
CID 146007610
3-methylsulfanyl-N'-phenylbenzohydrazide
CID 54107491
2-methyl-6-(3-methylsulfanylphenyl)benzoic acid
CID 53226385
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
4-hydroxybutyl 3-methylsulfanylbenzoate
CID 126727190
N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide
CID 67490104

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of (3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone (CID 134123591) is (3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for (3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for (3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone is CSc1cccc(C(=O)c2c(C)c(C)cc(C)c2C)c1.
What is the InChIKey of (3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is ZHAFSBUEJHUMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-11-9-12(2)14(4)17(13(11)3)18(19)15-7-6-8-16(10-15)20-5/h6-10H,1-5H3.
What are the key properties of (3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone?
(3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone has a molecular weight of 284.42 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfanylphenyl)-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 134123591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).