4H-1-Benzopyran-4-one, 3,3'-dithiobis-
Basic information
- CAS
88883-89-0- Standard SMILES
O=c1c(SSc2coc3ccccc3c2=O)coc2ccccc12- InChIKey
MULZBSUWIURFBE-UHFFFAOYSA-N- Molecular formula
- C18H10O4S2
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.00205114
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 3,3'-dithiobis-
- IUPAC
- 3-[(4-oxochromen-3-yl)disulfanyl]chromen-4-one
Names & synonyms
88883-89-04H-1-Benzopyran-4-one, 3,3'-dithiobis-23K54TI3Q2NSC370926NSC 3709263,3'-Dithiobis-4H-1-benzopyran-4-oneUNII-23K54TI3Q2NSC-3709263-[(4-oxochromen-3-yl)disulfanyl]chromen-4-oneDTXSID002373943,3'-Disulfanediyldi(4H-1-benzopyran-4-one)
Database identifiers
- CAS
88883-89-0- PubChem CID
- 340405
- DTXSID
DTXSID00237394- UNII
- 23K54TI3Q2
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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