2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone

C17H17ClOS — CID 43413042

IUPAC2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClOS/c1-12(2)13-3-5-14(6-4-13)17(19)11-20-16-9-7-15(18)8-10-16/h3-10,12H,11H2,1-2H3
InChIKeyYLJUFWQINRSQHI-UHFFFAOYSA-N
MW304.84 g/mol
LogP5.44
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone

2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 43413042) has the molecular formula C17H17ClOS and a molecular weight of 304.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
PubChem CID43413042
Molecular FormulaC17H17ClOS
Molecular Weight304.84 g/mol
Exact Mass304.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClOS/c1-12(2)13-3-5-14(6-4-13)17(19)11-20-16-9-7-15(18)8-10-16/h3-10,12H,11H2,1-2H3
InChIKeyYLJUFWQINRSQHI-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.84
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 840044
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 63406815
1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone
CID 43802265
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9360103
N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide
CID 7434036
2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanylacetic acid
CID 146004506
2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone
CID 43412801
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220181
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
1-(4-phenacylsulfanylphenyl)propan-1-one
CID 82164519

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone (CID 43413042) is 2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is YLJUFWQINRSQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClOS/c1-12(2)13-3-5-14(6-4-13)17(19)11-20-16-9-7-15(18)8-10-16/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone?
2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 304.84 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 43413042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).