1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone

C15H20OS — CID 43412758

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone
SMILESCC(C)CSCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20OS/c1-11(2)9-17-10-15(16)14-7-6-12-4-3-5-13(12)8-14/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyZJTQQBKPCFWOCK-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.75
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone (PubChem CID 43412758) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone
PubChem CID43412758
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone
SMILESCC(C)CSCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20OS/c1-11(2)9-17-10-15(16)14-7-6-12-4-3-5-13(12)8-14/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyZJTQQBKPCFWOCK-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methylbutylsulfanyl)ethanone
CID 107752852
2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050708
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116830081
1-(3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412803
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone
CID 55261503
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-4-oxobutanoic acid
CID 20509536
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
CID 114873977
1-(4-bromophenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412794
2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone
CID 43412801

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone (CID 43412758) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone is CC(C)CSCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone?
The InChIKey is ZJTQQBKPCFWOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-11(2)9-17-10-15(16)14-7-6-12-4-3-5-13(12)8-14/h6-8,11H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone has a molecular weight of 248.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone is sourced from PubChem (CID 43412758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).