2-ethylsulfanyl-1-(4-hexylphenyl)ethanone

C16H24OS — CID 82050314

IUPAC2-ethylsulfanyl-1-(4-hexylphenyl)ethanone
SMILESCCCCCCc1ccc(C(=O)CSCC)cc1
InChIInChI=1S/C16H24OS/c1-3-5-6-7-8-14-9-11-15(12-10-14)16(17)13-18-4-2/h9-12H,3-8,13H2,1-2H3
InChIKeyLPSRVTAVKNJPJA-UHFFFAOYSA-N
MW264.43 g/mol
LogP4.75
Rot. Bonds9

About 2-ethylsulfanyl-1-(4-hexylphenyl)ethanone

2-ethylsulfanyl-1-(4-hexylphenyl)ethanone (PubChem CID 82050314) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(4-hexylphenyl)ethanone.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(4-hexylphenyl)ethanone
PubChem CID82050314
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name2-ethylsulfanyl-1-(4-hexylphenyl)ethanone
SMILESCCCCCCc1ccc(C(=O)CSCC)cc1
InChIInChI=1S/C16H24OS/c1-3-5-6-7-8-14-9-11-15(12-10-14)16(17)13-18-4-2/h9-12H,3-8,13H2,1-2H3
InChIKeyLPSRVTAVKNJPJA-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(4-octylphenyl)ethanone
CID 11301375
2-iodo-1-[4-(4-octylphenyl)phenyl]ethanone
CID 21028908
4-(4-heptylphenyl)-4-oxobutanoic acid
CID 2801472
3-chloro-1-(4-heptylphenyl)propan-1-one
CID 18475165
4-(4-dodecylphenyl)benzoic acid
CID 3092136
2-(4-methylphenyl)-1-(4-octylphenyl)ethanone
CID 101090157
ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
4-pentylbenzoyl bromide
CID 87349955
1-(4-hexylphenyl)-3-methoxypropan-1-one
CID 82050296
4-bromo-1-(4-nonylphenyl)butane-1,3-dione
CID 175385508
methyl 4-[3-(4-hexylphenyl)-3-oxopropanoyl]benzoate
CID 58428312
sodium 4-decylbenzoate
CID 68743346

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(4-hexylphenyl)ethanone?
The IUPAC name of 2-ethylsulfanyl-1-(4-hexylphenyl)ethanone (CID 82050314) is 2-ethylsulfanyl-1-(4-hexylphenyl)ethanone.
What is the SMILES notation for 2-ethylsulfanyl-1-(4-hexylphenyl)ethanone?
The canonical SMILES for 2-ethylsulfanyl-1-(4-hexylphenyl)ethanone is CCCCCCc1ccc(C(=O)CSCC)cc1.
What is the InChIKey of 2-ethylsulfanyl-1-(4-hexylphenyl)ethanone?
The InChIKey is LPSRVTAVKNJPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-3-5-6-7-8-14-9-11-15(12-10-14)16(17)13-18-4-2/h9-12H,3-8,13H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-(4-hexylphenyl)ethanone?
2-ethylsulfanyl-1-(4-hexylphenyl)ethanone has a molecular weight of 264.43 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(4-hexylphenyl)ethanone is sourced from PubChem (CID 82050314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).