2-(2-methoxyphenyl)sulfanylbenzaldehyde

C14H12O2S — CID 12946428

IUPAC2-(2-methoxyphenyl)sulfanylbenzaldehyde
SMILESCOc1ccccc1Sc1ccccc1C=O
InChIInChI=1S/C14H12O2S/c1-16-12-7-3-5-9-14(12)17-13-8-4-2-6-11(13)10-15/h2-10H,1H3
InChIKeyBVNRYOIUKQDUSD-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.66
Rot. Bonds4

About 2-(2-methoxyphenyl)sulfanylbenzaldehyde

2-(2-methoxyphenyl)sulfanylbenzaldehyde (PubChem CID 12946428) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfanylbenzaldehyde
PubChem CID12946428
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name2-(2-methoxyphenyl)sulfanylbenzaldehyde
SMILESCOc1ccccc1Sc1ccccc1C=O
InChIInChI=1S/C14H12O2S/c1-16-12-7-3-5-9-14(12)17-13-8-4-2-6-11(13)10-15/h2-10H,1H3
InChIKeyBVNRYOIUKQDUSD-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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Related Compounds

2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde
CID 91289856
methyl 2-(2-formylphenyl)sulfanylbenzoate
CID 139661382
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)benzaldehyde
CID 10870668
1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene
CID 18738928
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-hydroxy-3-methoxybenzaldehyde
CID 8991
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419
2-[2-(2-methoxyphenyl)ethynyl]benzaldehyde
CID 25215814
2-methylperoxybenzaldehyde
CID 23505479

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfanylbenzaldehyde?
The IUPAC name of 2-(2-methoxyphenyl)sulfanylbenzaldehyde (CID 12946428) is 2-(2-methoxyphenyl)sulfanylbenzaldehyde.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfanylbenzaldehyde?
The canonical SMILES for 2-(2-methoxyphenyl)sulfanylbenzaldehyde is COc1ccccc1Sc1ccccc1C=O.
What is the InChIKey of 2-(2-methoxyphenyl)sulfanylbenzaldehyde?
The InChIKey is BVNRYOIUKQDUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-16-12-7-3-5-9-14(12)17-13-8-4-2-6-11(13)10-15/h2-10H,1H3.
What are the key properties of 2-(2-methoxyphenyl)sulfanylbenzaldehyde?
2-(2-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-(2-methoxyphenyl)sulfanylbenzaldehyde is sourced from PubChem (CID 12946428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).