2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C14H18OS — CID 82050708

IUPAC2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCCSCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H18OS/c1-2-16-10-14(15)13-8-7-11-5-3-4-6-12(11)9-13/h7-9H,2-6,10H2,1H3
InChIKeyKRLYEIVQNYKYCK-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.50
Rot. Bonds4

About 2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 82050708) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID82050708
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCCSCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H18OS/c1-2-16-10-14(15)13-8-7-11-5-3-4-6-12(11)9-13/h7-9H,2-6,10H2,1H3
InChIKeyKRLYEIVQNYKYCK-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116830081
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412758
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methylbutylsulfanyl)ethanone
CID 107752852
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone
CID 55261503
2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050707
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 114873964
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 62679922
1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 7824027
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone
CID 43413658
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 82050708) is 2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is CCSCC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is KRLYEIVQNYKYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-2-16-10-14(15)13-8-7-11-5-3-4-6-12(11)9-13/h7-9H,2-6,10H2,1H3.
What are the key properties of 2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 234.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 82050708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).