2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde

C16H10O4S — CID 88759988

IUPAC2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde
SMILESO=CC(=O)c1ccccc1Sc1ccccc1C(=O)C=O
InChIInChI=1S/C16H10O4S/c17-9-13(19)11-5-1-3-7-15(11)21-16-8-4-2-6-12(16)14(20)10-18/h1-10H
InChIKeyVKOGBYOFPCGXHZ-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.60
Rot. Bonds6

About 2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde

2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde (PubChem CID 88759988) has the molecular formula C16H10O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde
PubChem CID88759988
Molecular FormulaC16H10O4S
Molecular Weight298.32 g/mol
Exact Mass298.03
IUPAC Name2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde
SMILESO=CC(=O)c1ccccc1Sc1ccccc1C(=O)C=O
InChIInChI=1S/C16H10O4S/c17-9-13(19)11-5-1-3-7-15(11)21-16-8-4-2-6-12(16)14(20)10-18/h1-10H
InChIKeyVKOGBYOFPCGXHZ-UHFFFAOYSA-N
XLogP2.60
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-oxaldehydoyl-4-phenylphenyl)sulfanyl-5-phenylphenyl]-2-oxoacetaldehyde
CID 88759989
2-oxaldehydoylbenzamide
CID 146295366
methyl 2-(2-formylphenyl)sulfanylbenzoate
CID 139661382
[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone
CID 174908112
N-formyl-N-[2-(2-oxaldehydoylphenyl)-2-oxoethyl]formamide
CID 91482793
N-methyl-2-naphthalen-1-ylsulfanylbenzamide
CID 2801926
2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde
CID 174414961
N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide
CID 66554979
2-[(3-bromo-4-pyridinyl)sulfanyl]benzoic acid
CID 104776612
2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid
CID 170908709
2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide
CID 54287350
bis[2-(4-aminophenyl)sulfanylphenyl]methanone
CID 67895042

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde?
The IUPAC name of 2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde (CID 88759988) is 2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde.
What is the SMILES notation for 2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde?
The canonical SMILES for 2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde is O=CC(=O)c1ccccc1Sc1ccccc1C(=O)C=O.
What is the InChIKey of 2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde?
The InChIKey is VKOGBYOFPCGXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4S/c17-9-13(19)11-5-1-3-7-15(11)21-16-8-4-2-6-12(16)14(20)10-18/h1-10H.
What are the key properties of 2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde?
2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde has a molecular weight of 298.32 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde is sourced from PubChem (CID 88759988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).