2-(3-methoxyphenyl)sulfanylbenzaldehyde

C14H12O2S — CID 14740128

IUPAC2-(3-methoxyphenyl)sulfanylbenzaldehyde
SMILESCOc1cccc(Sc2ccccc2C=O)c1
InChIInChI=1S/C14H12O2S/c1-16-12-6-4-7-13(9-12)17-14-8-3-2-5-11(14)10-15/h2-10H,1H3
InChIKeySOOXPJFTYXYFPE-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.66
Rot. Bonds4

About 2-(3-methoxyphenyl)sulfanylbenzaldehyde

2-(3-methoxyphenyl)sulfanylbenzaldehyde (PubChem CID 14740128) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanylbenzaldehyde
PubChem CID14740128
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name2-(3-methoxyphenyl)sulfanylbenzaldehyde
SMILESCOc1cccc(Sc2ccccc2C=O)c1
InChIInChI=1S/C14H12O2S/c1-16-12-6-4-7-13(9-12)17-14-8-3-2-5-11(14)10-15/h2-10H,1H3
InChIKeySOOXPJFTYXYFPE-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-methoxyphenyl)sulfanylbenzaldehyde?
The IUPAC name of 2-(3-methoxyphenyl)sulfanylbenzaldehyde (CID 14740128) is 2-(3-methoxyphenyl)sulfanylbenzaldehyde.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanylbenzaldehyde?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanylbenzaldehyde is COc1cccc(Sc2ccccc2C=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanylbenzaldehyde?
The InChIKey is SOOXPJFTYXYFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-16-12-6-4-7-13(9-12)17-14-8-3-2-5-11(14)10-15/h2-10H,1H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanylbenzaldehyde?
2-(3-methoxyphenyl)sulfanylbenzaldehyde has a molecular weight of 244.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanylbenzaldehyde is sourced from PubChem (CID 14740128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).