2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene

C15H16S — CID 18738941

IUPAC2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
SMILESCc1ccc(Sc2ccccc2C)c(C)c1
InChIInChI=1S/C15H16S/c1-11-8-9-15(13(3)10-11)16-14-7-5-4-6-12(14)2/h4-10H,1-3H3
InChIKeyRSBDEETUEYOBPR-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.76
Rot. Bonds2

About 2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene

2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene (PubChem CID 18738941) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
PubChem CID18738941
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
SMILESCc1ccc(Sc2ccccc2C)c(C)c1
InChIInChI=1S/C15H16S/c1-11-8-9-15(13(3)10-11)16-14-7-5-4-6-12(14)2/h4-10H,1-3H3
InChIKeyRSBDEETUEYOBPR-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone
CID 14797593
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
2,4-dimethyl-1-(2-nitrophenyl)sulfanylbenzene;ethane;methane
CID 145260631
[3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol
CID 63835401
1,4-bis[(2,4-dimethylphenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 57385178
2-[2-(2,4-dimethylphenyl)sulfanylanilino]ethene-1,1,2-tricarbonitrile
CID 168606776
1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43103539
[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol
CID 63813831
2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol
CID 145133265
3,6-bis[(2-methylphenyl)sulfanyl]benzene-1,2-dicarbonitrile
CID 58583764
acetylene;1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine;ethane
CID 145260602
2-(2,4-dimethylphenyl)sulfanyl-3-methylbenzonitrile
CID 107110779

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene?
The IUPAC name of 2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene (CID 18738941) is 2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene.
What is the SMILES notation for 2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene?
The canonical SMILES for 2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene is Cc1ccc(Sc2ccccc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene?
The InChIKey is RSBDEETUEYOBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-11-8-9-15(13(3)10-11)16-14-7-5-4-6-12(14)2/h4-10H,1-3H3.
What are the key properties of 2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene?
2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene has a molecular weight of 228.36 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene is sourced from PubChem (CID 18738941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).