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

C18H18OS — CID 82050707

IUPAC2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(CSc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H18OS/c19-18(13-20-17-8-2-1-3-9-17)16-11-10-14-6-4-5-7-15(14)12-16/h1-3,8-12H,4-7,13H2
InChIKeyQMCJNVGZLRYARD-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.54
Rot. Bonds4

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

2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 82050707) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID82050707
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Name2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(CSc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H18OS/c19-18(13-20-17-8-2-1-3-9-17)16-11-10-14-6-4-5-7-15(14)12-16/h1-3,8-12H,4-7,13H2
InChIKeyQMCJNVGZLRYARD-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.54
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-(3,4-dimethylphenyl)sulfanylethanone
CID 43413658
6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 2801269
2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050708
1-(3,4-dihydroxyphenyl)-2-phenylsulfanylethanone
CID 43218398
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone
CID 43232259
N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9482902
1-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 7895401
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 40585550
1-(3-bromophenyl)-2-phenylsulfanylethanone
CID 43413344
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 7173181

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 82050707) is 2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is O=C(CSc1ccccc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is QMCJNVGZLRYARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18OS/c19-18(13-20-17-8-2-1-3-9-17)16-11-10-14-6-4-5-7-15(14)12-16/h1-3,8-12H,4-7,13H2.
What are the key properties of 2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 282.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 82050707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).