Bis(4-acetylphenyl)sulfide

HCID 520243

Notes Reactions

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Basic information

CAS: 2615-09-0
Standard SMILES: CC(=O)c1ccc(Sc2ccc(C(C)=O)cc2)cc1
InChIKey: JBDYORUCEWAWQR-UHFFFAOYSA-N
Molecular formula: C16H14O2S
Average molar mass: 270.3 g/mol
Monoisotopic mass: 270.07145086

Names & identifiers

Preferred name: Bis(4-acetylphenyl)sulfide
IUPAC: 1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone

Names & synonyms

2615-09-0bis(4-acetylphenyl)sulfideDTXSID60334292RefChem:329730DTXCID70285382SMR0001776551,1'-(Thiobis(4,1-phenylene))diethanoneMLS0005518651-[4-(4-acetylphenyl)sulfanylphenyl]ethanoneEthanone, 1,1'-(thiodi-4,1-phenylene)bis-1-[4-(4-Acetyl-phenylsulfanyl)-phenyl]-ethanone1,1'-[Sulfanediyldi(4,1-phenylene)]di(ethan-1-one)

Show more names

Di-acetodiphenylmonosulfideSCHEMBL8351084,4'-diacetyldiphenyl sulfidecid_520243CHEMBL1569634BDBM78642JBDYORUCEWAWQR-UHFFFAOYSA-NHMS2574C20

Database identifiers

CAS: 2615-09-0
PubChem CID: 520243
DTXSID: DTXSID60334292
ChEMBL: CHEMBL1569634
Nikkaji: J1.542.543A

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 59.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 292

Related reactions

2 records

New reaction record

HRID 208093As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1516945As reactantuspto-grants-2012_07

Compound notes

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