Basic information
- CAS
882749-72-6- Standard SMILES
O=C(CCSc1ccc(Sc2ccc(SCCC(=O)c3ccc4c(c3)OCO4)cc2)cc1)c1ccc2c(c1)OCO2- InChIKey
WNPIUPOUJYMXOJ-UHFFFAOYSA-N- Molecular formula
- C32H26O6S3
- Average molar mass
- 602.7 g/mol
- Monoisotopic mass
- 602.08915207
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-yl)-3-({4-[(4-{[3-(1,3-benzodioxol-5-yl)-3-oxopropyl]sulfanyl}phenyl)sulfanyl]phenyl}sulfanyl)-1-propanone
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-3-[4-[4-[3-(1,3-benzodioxol-5-yl)-3-oxopropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-1-one
- English name
- 1-(1,3-BENZODIOXOL-5-YL)-3-((4-[(4-([3-(1,3-BENZODIOXOL-5-YL)-3-OXOPROPYL]SULFANYL)PHENYL)SULFANYL]PHENYL)SULFANYL)-1-PROPANONE
- Molecular formula
- C32H26O6S3
- Molecular weight
- 602.74
Names & synonyms
882749-72-61-(1,3-benzodioxol-5-yl)-3-({4-[(4-{[3-(1,3-benzodioxol-5-yl)-3-oxopropyl]sulfanyl}phenyl)sulfanyl]phenyl}sulfanyl)-1-propanone1-(2H-1,3-benzodioxol-5-yl)-3-({4-[(4-{[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropyl]sulfanyl}phenyl)sulfanyl]phenyl}sulfanyl)propan-1-one1-(1,3-benzodioxol-5-yl)-3-[4-[4-[3-(1,3-benzodioxol-5-yl)-3-oxopropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-1-oneAKOS005108961JS-2840SALOR-INT L322598-1EA1-Propanone, 3,3'-[thiobis(4,1-phenylenethio)]bis[1-(1,3-benzodioxol-5-yl)-1-(1,3-BENZODIOXOL-5-YL)-3-((4-[(4-([3-(1,3-BENZODIOXOL-5-YL)-3-OXOPROPYL]SULFANYL)PHENYL)SULFANYL]PHENYL)SULFANYL)-1-PROPANONE
Database identifiers
- CAS
882749-72-6- PubChem CID
- 3694768
- EC Number
- 132-751-6
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 790
Physicochemical properties
- Boiling point
- 825.1 · 825.1±65.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
Key Organics Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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