1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene

C14H22OS — CID 151512691

IUPAC1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene
SMILESCCSCCOc1ccc(C)cc1C(C)C
InChIInChI=1S/C14H22OS/c1-5-16-9-8-15-14-7-6-12(4)10-13(14)11(2)3/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyPSUNPNWISFDNEZ-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.25
Rot. Bonds6

About 1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene

1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene (PubChem CID 151512691) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene
PubChem CID151512691
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene
SMILESCCSCCOc1ccc(C)cc1C(C)C
InChIInChI=1S/C14H22OS/c1-5-16-9-8-15-14-7-6-12(4)10-13(14)11(2)3/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyPSUNPNWISFDNEZ-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene 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-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol
CID 113473755
(1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863256
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
CID 65176238
N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine
CID 113473493
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
N-methyl-1-[5-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]ethanamine
CID 116615019
4-ethylsulfanyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butan-2-amine
CID 115725477
(NE)-N-[1-[2-(3-ethylsulfanylpropoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 113473665
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
CID 43504992

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene?
The IUPAC name of 1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene (CID 151512691) is 1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene is CCSCCOc1ccc(C)cc1C(C)C.
What is the InChIKey of 1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene?
The InChIKey is PSUNPNWISFDNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-5-16-9-8-15-14-7-6-12(4)10-13(14)11(2)3/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of 1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene?
1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene has a molecular weight of 238.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene is sourced from PubChem (CID 151512691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).