2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde

C13H8Cl2OS — CID 63803364

IUPAC2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde
SMILESO=Cc1c(Cl)cccc1Sc1ccccc1Cl
InChIInChI=1S/C13H8Cl2OS/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-8H
InChIKeyBQPGHNQJTOZSAE-UHFFFAOYSA-N
MW283.18 g/mol
LogP4.96
Rot. Bonds3

About 2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde

2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde (PubChem CID 63803364) has the molecular formula C13H8Cl2OS and a molecular weight of 283.18 g/mol. Its IUPAC name is 2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde
PubChem CID63803364
Molecular FormulaC13H8Cl2OS
Molecular Weight283.18 g/mol
Exact Mass281.97
IUPAC Name2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde
SMILESO=Cc1c(Cl)cccc1Sc1ccccc1Cl
InChIInChI=1S/C13H8Cl2OS/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-8H
InChIKeyBQPGHNQJTOZSAE-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde?
The IUPAC name of 2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde (CID 63803364) is 2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde.
What is the SMILES notation for 2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde?
The canonical SMILES for 2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde is O=Cc1c(Cl)cccc1Sc1ccccc1Cl.
What is the InChIKey of 2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde?
The InChIKey is BQPGHNQJTOZSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2OS/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-8H.
What are the key properties of 2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde?
2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde has a molecular weight of 283.18 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-chlorophenyl)sulfanylbenzaldehyde is sourced from PubChem (CID 63803364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).