2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde

C14H11ClO2S — CID 59509334

IUPAC2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde
SMILESCOc1ccc(Sc2cccc(Cl)c2C=O)cc1
InChIInChI=1S/C14H11ClO2S/c1-17-10-5-7-11(8-6-10)18-14-4-2-3-13(15)12(14)9-16/h2-9H,1H3
InChIKeyYGGSQNWUFPRMOK-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.31
Rot. Bonds4

About 2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde

2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde (PubChem CID 59509334) has the molecular formula C14H11ClO2S and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde
PubChem CID59509334
Molecular FormulaC14H11ClO2S
Molecular Weight278.76 g/mol
Exact Mass278.02
IUPAC Name2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde
SMILESCOc1ccc(Sc2cccc(Cl)c2C=O)cc1
InChIInChI=1S/C14H11ClO2S/c1-17-10-5-7-11(8-6-10)18-14-4-2-3-13(15)12(14)9-16/h2-9H,1H3
InChIKeyYGGSQNWUFPRMOK-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63804574
2-chloro-6-(4,6-diaminopyrimidin-2-yl)sulfanylbenzaldehyde
CID 55238386
2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495530
2-chloro-6-(2,5-dimethylphenyl)sulfanylbenzaldehyde
CID 63803719
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371
N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63805453
2,6-dichlorobenzaldehyde;ethane
CID 90823593
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde
CID 63802046
2-chloro-6-(2,5-difluorophenyl)sulfanylbenzaldehyde
CID 63804079
2-chloro-6-(3-hydroxybutan-2-ylsulfanyl)benzaldehyde
CID 107772138
2-chloro-6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]benzaldehyde
CID 107783022

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde?
The IUPAC name of 2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde (CID 59509334) is 2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde.
What is the SMILES notation for 2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde?
The canonical SMILES for 2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde is COc1ccc(Sc2cccc(Cl)c2C=O)cc1.
What is the InChIKey of 2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde?
The InChIKey is YGGSQNWUFPRMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2S/c1-17-10-5-7-11(8-6-10)18-14-4-2-3-13(15)12(14)9-16/h2-9H,1H3.
What are the key properties of 2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde?
2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde has a molecular weight of 278.76 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde is sourced from PubChem (CID 59509334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).