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

C13H16OS — CID 116830081

IUPAC2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCSCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H16OS/c1-15-9-13(14)12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3
InChIKeyFWKIUEOXZFVVSS-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.11
Rot. Bonds3

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

2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 116830081) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID116830081
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCSCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H16OS/c1-15-9-13(14)12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3
InChIKeyFWKIUEOXZFVVSS-UHFFFAOYSA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050708
2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050707
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
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
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
N,N-dimethyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 82121263
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
2-methyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 70167994
3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 114873964
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone
CID 55261503

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 116830081) is 2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is CSCC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is FWKIUEOXZFVVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c1-15-9-13(14)12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3.
What are the key properties of 2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 220.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 116830081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).