2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene

C20H26S — CID 54545030

IUPAC2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
SMILESCCCc1ccc(Sc2ccc(CCC)cc2C)c(C)c1
InChIInChI=1S/C20H26S/c1-5-7-17-9-11-19(15(3)13-17)21-20-12-10-18(8-6-2)14-16(20)4/h9-14H,5-8H2,1-4H3
InChIKeyZFXPUHRGVUZAPC-UHFFFAOYSA-N
MW298.50 g/mol
LogP6.36
Rot. Bonds6

About 2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene

2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene (PubChem CID 54545030) has the molecular formula C20H26S and a molecular weight of 298.50 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
PubChem CID54545030
Molecular FormulaC20H26S
Molecular Weight298.50 g/mol
Exact Mass298.18
IUPAC Name2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
SMILESCCCc1ccc(Sc2ccc(CCC)cc2C)c(C)c1
InChIInChI=1S/C20H26S/c1-5-7-17-9-11-19(15(3)13-17)21-20-12-10-18(8-6-2)14-16(20)4/h9-14H,5-8H2,1-4H3
InChIKeyZFXPUHRGVUZAPC-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.50
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2,4-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 55240458
[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol
CID 63813831
2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 63818247
2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 63818816
(2-methyl-4-propylphenyl)methanamine
CID 86664509
2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene
CID 139623506
2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine
CID 55238731
2-methyl-7-propylnaphthalene
CID 59912073
2-methoxy-1-methylsulfanyl-4-propylbenzene
CID 91881478
2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine
CID 116544264
2-butyl-6-propylnaphthalene
CID 58232616
[3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine
CID 107783293

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene?
The IUPAC name of 2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene (CID 54545030) is 2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene.
What is the SMILES notation for 2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene?
The canonical SMILES for 2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene is CCCc1ccc(Sc2ccc(CCC)cc2C)c(C)c1.
What is the InChIKey of 2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene?
The InChIKey is ZFXPUHRGVUZAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26S/c1-5-7-17-9-11-19(15(3)13-17)21-20-12-10-18(8-6-2)14-16(20)4/h9-14H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene?
2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene has a molecular weight of 298.50 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene is sourced from PubChem (CID 54545030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).