Basic information
- CAS
63520-86-5- Standard SMILES
O=C1Oc2ccccc2C(=O)/C1=C1\C=C(c2ccccc2)SS1- InChIKey
QEGUSOMWJVEWSI-NXVVXOECSA-N- Molecular formula
- C18H10O3S2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.00713652
Names & identifiers
- Preferred name
- (3Z)-3-(5-Phenyl-3H-1,2-dithiol-3-ylidene)-2H-chromene-2,4(3H)-dione
- IUPAC
- (3Z)-3-(5-phenyldithiol-3-ylidene)chromene-2,4-dione
Names & synonyms
63520-86-5NSC293927NSC 293927(3Z)-3-(5-Phenyl-3H-1,2-dithiol-3-ylidene)-2H-chromene-2,4(3H)-dioneCCG-35622(3Z)-3-(5-phenyldithiol-3-ylidene)chromane-2,4-dione
Database identifiers
- CAS
63520-86-5- PubChem CID
- 3000657
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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