4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde

C14H10Cl2OS — CID 103290707

IUPAC4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde
SMILESO=Cc1ccc(Cl)cc1SCc1ccccc1Cl
InChIInChI=1S/C14H10Cl2OS/c15-12-6-5-10(8-17)14(7-12)18-9-11-3-1-2-4-13(11)16/h1-8H,9H2
InChIKeyQKVOHYBLJJANIS-UHFFFAOYSA-N
MW297.21 g/mol
LogP5.10
Rot. Bonds4

About 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde

4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde (PubChem CID 103290707) has the molecular formula C14H10Cl2OS and a molecular weight of 297.21 g/mol. Its IUPAC name is 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde
PubChem CID103290707
Molecular FormulaC14H10Cl2OS
Molecular Weight297.21 g/mol
Exact Mass295.98
IUPAC Name4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde
SMILESO=Cc1ccc(Cl)cc1SCc1ccccc1Cl
InChIInChI=1S/C14H10Cl2OS/c15-12-6-5-10(8-17)14(7-12)18-9-11-3-1-2-4-13(11)16/h1-8H,9H2
InChIKeyQKVOHYBLJJANIS-UHFFFAOYSA-N
XLogP5.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.21
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 114863676
[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]methanol
CID 103290841
4-chloro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzaldehyde
CID 114863755
4-chloro-2-(3-hydroxypropylsulfanyl)benzaldehyde
CID 114863759
4-chloro-2-(3-methylbutylsulfanyl)benzaldehyde
CID 107761216
4-chloro-2-(2,3-dihydroxypropylsulfanyl)benzaldehyde
CID 114863763
4-chloro-2-[2-(diethylamino)ethylsulfanyl]benzaldehyde
CID 114863753
4-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde
CID 103290698
5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde
CID 103290693
1-[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]butan-2-amine
CID 103290913
5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide
CID 103288502
2-chloro-6-[(2-methylphenyl)methylsulfanyl]benzaldehyde
CID 55240290

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde?
The IUPAC name of 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde (CID 103290707) is 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde.
What is the SMILES notation for 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde?
The canonical SMILES for 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde is O=Cc1ccc(Cl)cc1SCc1ccccc1Cl.
What is the InChIKey of 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde?
The InChIKey is QKVOHYBLJJANIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2OS/c15-12-6-5-10(8-17)14(7-12)18-9-11-3-1-2-4-13(11)16/h1-8H,9H2.
What are the key properties of 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde?
4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde has a molecular weight of 297.21 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde is sourced from PubChem (CID 103290707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).