3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde

C15H14OS — CID 63803402

IUPAC3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde
SMILESCc1cccc(Sc2ccc(C=O)cc2C)c1
InChIInChI=1S/C15H14OS/c1-11-4-3-5-14(8-11)17-15-7-6-13(10-16)9-12(15)2/h3-10H,1-2H3
InChIKeyZLNDNIBIGLQTIL-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.27
Rot. Bonds3

About 3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde

3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde (PubChem CID 63803402) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde
PubChem CID63803402
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde
SMILESCc1cccc(Sc2ccc(C=O)cc2C)c1
InChIInChI=1S/C15H14OS/c1-11-4-3-5-14(8-11)17-15-7-6-13(10-16)9-12(15)2/h3-10H,1-2H3
InChIKeyZLNDNIBIGLQTIL-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.27
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-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde
CID 63802374
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
4-chloro-2-(3-methylphenyl)sulfanylbenzaldehyde
CID 114863720
4-tert-butylsulfanyl-3-methylbenzaldehyde
CID 63804048
4-(1,3-benzothiazol-2-ylsulfanyl)-3-methylbenzaldehyde
CID 55238001
3-(2,4-dimethylphenyl)sulfanylaniline;hydrochloride
CID 175673340
4-(2,5-dichlorophenyl)sulfanyl-3-methylbenzaldehyde
CID 55238761
3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzaldehyde
CID 63803060
3-bromo-4-(4-methylphenyl)sulfanylbenzaldehyde
CID 18669010
[2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene
CID 20746559
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbenzaldehyde
CID 55240679
3-fluoro-4-phenylsulfanylbenzaldehyde
CID 63803868

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde?
The IUPAC name of 3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde (CID 63803402) is 3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde.
What is the SMILES notation for 3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde?
The canonical SMILES for 3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde is Cc1cccc(Sc2ccc(C=O)cc2C)c1.
What is the InChIKey of 3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde?
The InChIKey is ZLNDNIBIGLQTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-11-4-3-5-14(8-11)17-15-7-6-13(10-16)9-12(15)2/h3-10H,1-2H3.
What are the key properties of 3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde?
3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde has a molecular weight of 242.34 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde is sourced from PubChem (CID 63803402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).