1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one

C15H12Cl2OS — CID 66140332

IUPAC1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccccc1Cl)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2OS/c16-12-7-5-11(6-8-12)9-13(18)10-19-15-4-2-1-3-14(15)17/h1-8H,9-10H2
InChIKeyYSIKSKISJCVKDX-UHFFFAOYSA-N
MW311.23 g/mol
LogP4.90
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one

1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one (PubChem CID 66140332) has the molecular formula C15H12Cl2OS and a molecular weight of 311.23 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
PubChem CID66140332
Molecular FormulaC15H12Cl2OS
Molecular Weight311.23 g/mol
Exact Mass310.00
IUPAC Name1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccccc1Cl)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2OS/c16-12-7-5-11(6-8-12)9-13(18)10-19-15-4-2-1-3-14(15)17/h1-8H,9-10H2
InChIKeyYSIKSKISJCVKDX-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 103039415
1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one
CID 66141536
1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 66142351
1-(2-chloro-5-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 102617723
1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one
CID 79566355
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 60976639
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
1-(2-chlorophenyl)sulfanyl-4-methylpent-4-en-2-one
CID 79177144
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-one
CID 66140142
1-(2-chlorophenyl)sulfanylheptan-2-one
CID 66139360
1-(2-bromo-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66142357

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one (CID 66140332) is 1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one is O=C(CSc1ccccc1Cl)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one?
The InChIKey is YSIKSKISJCVKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2OS/c16-12-7-5-11(6-8-12)9-13(18)10-19-15-4-2-1-3-14(15)17/h1-8H,9-10H2.
What are the key properties of 1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one?
1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one has a molecular weight of 311.23 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one is sourced from PubChem (CID 66140332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).