1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene

C18H22OS — CID 11403450

IUPAC1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene
SMILESCc1cc(C)c(S(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C18H22OS/c1-11-7-13(3)17(14(4)8-11)20(19)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
InChIKeyVIDWNQCJTYKBSF-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.70
Rot. Bonds2

About 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene

1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene (PubChem CID 11403450) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene
PubChem CID11403450
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene
SMILESCc1cc(C)c(S(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C18H22OS/c1-11-7-13(3)17(14(4)8-11)20(19)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
InChIKeyVIDWNQCJTYKBSF-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene?
The IUPAC name of 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene (CID 11403450) is 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene.
What is the SMILES notation for 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene?
The canonical SMILES for 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene is Cc1cc(C)c(S(=O)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene?
The InChIKey is VIDWNQCJTYKBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-11-7-13(3)17(14(4)8-11)20(19)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3.
What are the key properties of 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene?
1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene has a molecular weight of 286.44 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfinylbenzene is sourced from PubChem (CID 11403450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).