1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene

C15H24S — CID 22891048

IUPAC1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene
SMILESCC(C)CCCSc1ccc(C(C)C)cc1
InChIInChI=1S/C15H24S/c1-12(2)6-5-11-16-15-9-7-14(8-10-15)13(3)4/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyUSRFJYZODIKSPP-UHFFFAOYSA-N
MW236.42 g/mol
LogP5.34
Rot. Bonds6

About 1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene

1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene (PubChem CID 22891048) has the molecular formula C15H24S and a molecular weight of 236.42 g/mol. Its IUPAC name is 1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene
PubChem CID22891048
Molecular FormulaC15H24S
Molecular Weight236.42 g/mol
Exact Mass236.16
IUPAC Name1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene
SMILESCC(C)CCCSc1ccc(C(C)C)cc1
InChIInChI=1S/C15H24S/c1-12(2)6-5-11-16-15-9-7-14(8-10-15)13(3)4/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyUSRFJYZODIKSPP-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.42
LogP ≤ 55.34
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

N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
CID 61386053
6-(4-propan-2-ylphenyl)sulfanylhexan-2-one
CID 43794030
5-(4-methylpentylsulfanyl)pyridin-2-amine
CID 83158550
6-(4-propan-2-ylphenyl)sulfanylhexan-3-one
CID 106802206
2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
CID 62582800
2,2-dimethyl-6-(4-propan-2-ylphenyl)sulfanylhexan-1-amine
CID 106713289
N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide
CID 54966132
2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol
CID 64806796
2-ethyl-2-(methylamino)-5-(4-propan-2-ylphenyl)sulfanylpentanoic acid
CID 106807340
N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
CID 61386045
magnesium;3-methylbutylsulfanylbenzene;bromide
CID 91656515
1-[2-[bromo(difluoro)methyl]selanylethylsulfanyl]-4-propan-2-ylbenzene
CID 162352994

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene (CID 22891048) is 1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene is CC(C)CCCSc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene?
The InChIKey is USRFJYZODIKSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24S/c1-12(2)6-5-11-16-15-9-7-14(8-10-15)13(3)4/h7-10,12-13H,5-6,11H2,1-4H3.
What are the key properties of 1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene?
1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene has a molecular weight of 236.42 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 22891048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).