Basic information
- CAS
63520-87-6- Standard SMILES
COc1ccc(C2=C/C(=C3/C(=O)Oc4ccccc4C3=O)SS2)cc1- InChIKey
BVBKKOXITCDGMK-MSUUIHNZSA-N- Molecular formula
- C19H12O4S2
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.01770121
Names & identifiers
- Preferred name
- (3Z)-3-(5-(4-Methoxyphenyl)-3H-1,2-dithiol-3-ylidene)-2H-chromene-2,4(3H)-dione
- IUPAC
- (3Z)-3-[5-(4-methoxyphenyl)dithiol-3-ylidene]chromene-2,4-dione
Names & synonyms
63520-87-6NSC 293928(3Z)-3-(5-(4-Methoxyphenyl)-3H-1,2-dithiol-3-ylidene)-2H-chromene-2,4(3H)-dioneNSC293928(3Z)-3-[5-(4-Methoxyphenyl)-3H-1,2-dithiol-3-ylidene]-2H-chromene-2,4(3H)-dione(3Z)-3-[5-(4-methoxyphenyl)dithiol-3-ylidene]chromane-2,4-dione
Database identifiers
- CAS
63520-87-6- PubChem CID
- 3000658
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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