2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone

C18H20OS — CID 43218705

IUPAC2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C18H20OS/c1-14(2)16-8-10-17(11-9-16)18(19)13-20-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeySQLNOAFMUXAHJM-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.93
Rot. Bonds6

About 2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone

2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 43218705) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone
PubChem CID43218705
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C18H20OS/c1-14(2)16-8-10-17(11-9-16)18(19)13-20-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeySQLNOAFMUXAHJM-UHFFFAOYSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanylacetic acid
CID 146004506
2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone
CID 43412801
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
2-benzylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 64639260
4-[[2-(4-methylphenyl)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 82178483
2-[4-(benzylsulfanylmethyl)phenyl]propanoic acid
CID 105345065
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione
CID 7820037
2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43413042

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone (CID 43218705) is 2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CSCc2ccccc2)cc1.
What is the InChIKey of 2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is SQLNOAFMUXAHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-14(2)16-8-10-17(11-9-16)18(19)13-20-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone?
2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 284.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 43218705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).