5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde

C14H11ClOS — CID 18668911

IUPAC5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde
SMILESCc1ccc(Sc2ccc(Cl)cc2C=O)cc1
InChIInChI=1S/C14H11ClOS/c1-10-2-5-13(6-3-10)17-14-7-4-12(15)8-11(14)9-16/h2-9H,1H3
InChIKeyUZWIYWUBGOGXOB-UHFFFAOYSA-N
MW262.76 g/mol
LogP4.61
Rot. Bonds3

About 5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde

5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde (PubChem CID 18668911) has the molecular formula C14H11ClOS and a molecular weight of 262.76 g/mol. Its IUPAC name is 5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde
PubChem CID18668911
Molecular FormulaC14H11ClOS
Molecular Weight262.76 g/mol
Exact Mass262.02
IUPAC Name5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde
SMILESCc1ccc(Sc2ccc(Cl)cc2C=O)cc1
InChIInChI=1S/C14H11ClOS/c1-10-2-5-13(6-3-10)17-14-7-4-12(15)8-11(14)9-16/h2-9H,1H3
InChIKeyUZWIYWUBGOGXOB-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 54.61
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

N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide
CID 114863624
5-bromo-2-(4-chlorophenyl)sulfanylbenzaldehyde
CID 87451563
5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde
CID 114863766
4-chloro-2-(3-methylphenyl)sulfanylbenzaldehyde
CID 114863720
5-chloro-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzaldehyde
CID 137005031
5-chloro-2-(3-methylbutylsulfanyl)benzaldehyde
CID 107761231
4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene
CID 14223180
2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde
CID 55238574
4-methyl-2-phenylsulfanylbenzaldehyde
CID 86250344
5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde
CID 114863747
3-bromo-4-(4-methylphenyl)sulfanylbenzaldehyde
CID 18669010
5-chloro-2-(2,4-dimethylphenyl)benzaldehyde
CID 66161659

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde?
The IUPAC name of 5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde (CID 18668911) is 5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde.
What is the SMILES notation for 5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde?
The canonical SMILES for 5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde is Cc1ccc(Sc2ccc(Cl)cc2C=O)cc1.
What is the InChIKey of 5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde?
The InChIKey is UZWIYWUBGOGXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClOS/c1-10-2-5-13(6-3-10)17-14-7-4-12(15)8-11(14)9-16/h2-9H,1H3.
What are the key properties of 5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde?
5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde has a molecular weight of 262.76 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde is sourced from PubChem (CID 18668911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).