1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene

C15H11Cl3OS — CID 68558438

IUPAC1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene
SMILESO=S(C=Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl3OS/c16-13-4-1-12(2-5-13)10-20(19)8-7-11-3-6-14(17)15(18)9-11/h1-9H,10H2
InChIKeyRBTBELHGVGPIBC-UHFFFAOYSA-N
MW345.68 g/mol
LogP5.57
Rot. Bonds4

About 1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene

1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene (PubChem CID 68558438) has the molecular formula C15H11Cl3OS and a molecular weight of 345.68 g/mol. Its IUPAC name is 1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene
PubChem CID68558438
Molecular FormulaC15H11Cl3OS
Molecular Weight345.68 g/mol
Exact Mass343.96
IUPAC Name1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene
SMILESO=S(C=Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl3OS/c16-13-4-1-12(2-5-13)10-20(19)8-7-11-3-6-14(17)15(18)9-11/h1-9H,10H2
InChIKeyRBTBELHGVGPIBC-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.68
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene?
The IUPAC name of 1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene (CID 68558438) is 1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene is O=S(C=Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene?
The InChIKey is RBTBELHGVGPIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3OS/c16-13-4-1-12(2-5-13)10-20(19)8-7-11-3-6-14(17)15(18)9-11/h1-9H,10H2.
What are the key properties of 1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene?
1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene has a molecular weight of 345.68 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene is sourced from PubChem (CID 68558438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).