1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one

C16H14Cl2OS — CID 66095260

IUPAC1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCc1ccccc1SCC(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2OS/c1-11-4-2-3-5-16(11)20-10-14(19)9-12-8-13(17)6-7-15(12)18/h2-8H,9-10H2,1H3
InChIKeyBKSGATHHNGCANC-UHFFFAOYSA-N
MW325.26 g/mol
LogP5.21
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one

1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one (PubChem CID 66095260) has the molecular formula C16H14Cl2OS and a molecular weight of 325.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
PubChem CID66095260
Molecular FormulaC16H14Cl2OS
Molecular Weight325.26 g/mol
Exact Mass324.01
IUPAC Name1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCc1ccccc1SCC(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2OS/c1-11-4-2-3-5-16(11)20-10-14(19)9-12-8-13(17)6-7-15(12)18/h2-8H,9-10H2,1H3
InChIKeyBKSGATHHNGCANC-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.26
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 60892959
1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 82919916
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 114347272
1-(2-chloro-5-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 102617723
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one
CID 102617725
1-(4-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093825
1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 66095674
1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66140332
1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093415
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
1-(2-fluoro-3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 104793477

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one (CID 66095260) is 1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one is Cc1ccccc1SCC(=O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The InChIKey is BKSGATHHNGCANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2OS/c1-11-4-2-3-5-16(11)20-10-14(19)9-12-8-13(17)6-7-15(12)18/h2-8H,9-10H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one has a molecular weight of 325.26 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 66095260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).