1-hexyl-4-(4-methylphenyl)sulfanylbenzene

C19H24S — CID 143882001

IUPAC1-hexyl-4-(4-methylphenyl)sulfanylbenzene
SMILESCCCCCCc1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24S/c1-3-4-5-6-7-17-10-14-19(15-11-17)20-18-12-8-16(2)9-13-18/h8-15H,3-7H2,1-2H3
InChIKeyMEVNVHGXHQSIFN-UHFFFAOYSA-N
MW284.47 g/mol
LogP6.27
Rot. Bonds7

About 1-hexyl-4-(4-methylphenyl)sulfanylbenzene

1-hexyl-4-(4-methylphenyl)sulfanylbenzene (PubChem CID 143882001) has the molecular formula C19H24S and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-hexyl-4-(4-methylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-hexyl-4-(4-methylphenyl)sulfanylbenzene
PubChem CID143882001
Molecular FormulaC19H24S
Molecular Weight284.47 g/mol
Exact Mass284.16
IUPAC Name1-hexyl-4-(4-methylphenyl)sulfanylbenzene
SMILESCCCCCCc1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24S/c1-3-4-5-6-7-17-10-14-19(15-11-17)20-18-12-8-16(2)9-13-18/h8-15H,3-7H2,1-2H3
InChIKeyMEVNVHGXHQSIFN-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.47
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-octylbenzene
CID 11052746
1-hexyl-4-methylbenzene;toluene
CID 173071388
1-pentyl-4-[2-[4-[4-[2-(4-pentylphenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543307
1-methyl-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 19899706
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
diethyl-heptyl-[4-(4-methylphenyl)butyl]azanium;1-methyl-4-methylsulfanylbenzene
CID 176697815
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938
4-methyl-N-(4-octylphenyl)aniline
CID 20625735
bis(4-methylphenyl)-(4-octylphenyl)sulfanium
CID 58445641
1-octyl-4-(4-octylphenyl)benzene
CID 22766415

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-(4-methylphenyl)sulfanylbenzene?
The IUPAC name of 1-hexyl-4-(4-methylphenyl)sulfanylbenzene (CID 143882001) is 1-hexyl-4-(4-methylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-hexyl-4-(4-methylphenyl)sulfanylbenzene?
The canonical SMILES for 1-hexyl-4-(4-methylphenyl)sulfanylbenzene is CCCCCCc1ccc(Sc2ccc(C)cc2)cc1.
What is the InChIKey of 1-hexyl-4-(4-methylphenyl)sulfanylbenzene?
The InChIKey is MEVNVHGXHQSIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24S/c1-3-4-5-6-7-17-10-14-19(15-11-17)20-18-12-8-16(2)9-13-18/h8-15H,3-7H2,1-2H3.
What are the key properties of 1-hexyl-4-(4-methylphenyl)sulfanylbenzene?
1-hexyl-4-(4-methylphenyl)sulfanylbenzene has a molecular weight of 284.47 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-(4-methylphenyl)sulfanylbenzene is sourced from PubChem (CID 143882001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).