2-phenyl-2-phenylsulfanylpropanal

C15H14OS — CID 11042917

IUPAC2-phenyl-2-phenylsulfanylpropanal
SMILESCC(C=O)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14OS/c1-15(12-16,13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyMMQJAMJCDNWQGQ-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.89
Rot. Bonds4

About 2-phenyl-2-phenylsulfanylpropanal

2-phenyl-2-phenylsulfanylpropanal (PubChem CID 11042917) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanylpropanal.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanylpropanal
PubChem CID11042917
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name2-phenyl-2-phenylsulfanylpropanal
SMILESCC(C=O)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14OS/c1-15(12-16,13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyMMQJAMJCDNWQGQ-UHFFFAOYSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.89
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

2-[(1-oxo-2-phenylpropan-2-yl)disulfanyl]-2-phenylpropanal
CID 88840285
2-phenyl-2-(trifluoromethylsulfanyl)propanal
CID 132605691
2-phenyl-2,2-bis(phenylsulfanyl)acetic acid
CID 59940318
2-phenylpropan-2-ylbenzene
CID 13065
2,2-dimethyl-3-phenylsulfanylpropanal
CID 15645098
acetic acid;2-methyl-2,3-diphenylpropanal
CID 174946322
2,2-diphenylpropanedial
CID 15324204
2-methyl-2-phenylsulfanylpentan-3-one
CID 13353123
diphenyl(phenylsulfanyl)methanamine
CID 151851017
(3-phenyl-3-phenylsulfanylbutyl) prop-2-enoate
CID 66643609
1-[1,1-bis(phenylsulfanyl)ethyl]-4-methoxybenzene
CID 102387106
1-(1,1-diphenylethylsulfanyl)-4-methylbenzene
CID 4070720

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanylpropanal?
The IUPAC name of 2-phenyl-2-phenylsulfanylpropanal (CID 11042917) is 2-phenyl-2-phenylsulfanylpropanal.
What is the SMILES notation for 2-phenyl-2-phenylsulfanylpropanal?
The canonical SMILES for 2-phenyl-2-phenylsulfanylpropanal is CC(C=O)(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanylpropanal?
The InChIKey is MMQJAMJCDNWQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-15(12-16,13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 2-phenyl-2-phenylsulfanylpropanal?
2-phenyl-2-phenylsulfanylpropanal has a molecular weight of 242.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanylpropanal is sourced from PubChem (CID 11042917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).