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

C15H16S — CID 15456660

IUPAC2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
SMILESCc1ccc(Sc2ccc(C)cc2C)cc1
InChIInChI=1S/C15H16S/c1-11-4-7-14(8-5-11)16-15-9-6-12(2)10-13(15)3/h4-10H,1-3H3
InChIKeyNSMLPPJWQGDWSE-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.76
Rot. Bonds2

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

2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene (PubChem CID 15456660) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
PubChem CID15456660
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
SMILESCc1ccc(Sc2ccc(C)cc2C)cc1
InChIInChI=1S/C15H16S/c1-11-4-7-14(8-5-11)16-15-9-6-12(2)10-13(15)3/h4-10H,1-3H3
InChIKeyNSMLPPJWQGDWSE-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

Analyze 2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(2,4-dimethylphenyl)sulfanylphenyl]sulfinylphenyl]sulfanyl-2,4-dimethylbenzene
CID 67240230
4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline
CID 43436438
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
CID 7938385
1-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-methylthiourea
CID 8679323
2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
CID 18738941
1,4-bis[(2,4-dimethylphenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 57385178
4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene
CID 14223180
3-(2,4-dimethylphenyl)sulfanylaniline;hydrochloride
CID 175673340
[5-methyl-2-(4-methylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium
CID 143426165
1-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(4-methoxyphenyl)thiourea
CID 18226262
3,6-dimethyl-2-(4-methylphenyl)sulfanyl-9H-carbazole
CID 167224128
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene?
The IUPAC name of 2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene (CID 15456660) is 2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene.
What is the SMILES notation for 2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene?
The canonical SMILES for 2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene is Cc1ccc(Sc2ccc(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene?
The InChIKey is NSMLPPJWQGDWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-11-4-7-14(8-5-11)16-15-9-6-12(2)10-13(15)3/h4-10H,1-3H3.
What are the key properties of 2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene?
2,4-dimethyl-1-(4-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-(4-methylphenyl)sulfanylbenzene is sourced from PubChem (CID 15456660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).