3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
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Basic information
- CAS
339022-67-2- Standard SMILES
CC(=O)C1=C(Sc2ccc(C)cc2)CS(=O)(=O)C1- InChIKey
ARFMFZICAMXCCI-UHFFFAOYSA-N- Molecular formula
- C13H14O3S2
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.03843665
Names & identifiers
- Preferred name
- 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
- IUPAC
- 1-[4-(4-methylphenyl)sulfanyl-1,1-dioxo-2,5-dihydrothiophen-3-yl]ethanone
- English name
- 3-ACETYL-4-[(4-METHYLPHENYL)SULFANYL]-2,5-DIHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE
- Molecular formula
- C13H14O3S2
- Molecular weight
- 282.38
Names & synonyms
339022-67-23-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dioneMFCD001392113-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1lambda6-thiophene-1,1-dione1-(1,1-Dioxido-4-(p-tolylthio)-2,5-dihydrothiophen-3-yl)ethan-1-one1-[4-(4-methylphenyl)sulfanyl-1,1-dioxo-2,5-dihydrothiophen-3-yl]ethanoneAKOS0159935288D-0711-[1,1-dioxo-4-(p-tolylsulfanyl)-2,5-dihydrothiophen-3-yl]ethanone3-Acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-thiophene-1,1-dione3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1|E?-thiophene-1,1-dioneEthanone, 1-[2,5-dihydro-4-[(4-methylphenyl)thio]-1,1-dioxido-3-thienyl]-
Show more names
3-ACETYL-4-[(4-METHYLPHENYL)SULFANYL]-2,5-DIHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE
Database identifiers
- CAS
339022-67-2- PubChem CID
- 1485923
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Boiling point
- 519.9 · 519.9±50.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
Related reactions
0 records
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Compound notes
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