Basic information
- CAS
63520-81-0- Standard SMILES
COc1ccc(C2=C/C(=C3\C(=O)C=C(C)OC3=O)SS2)cc1- InChIKey
ZIHOMAITHOBYNI-PFONDFGASA-N- Molecular formula
- C16H12O4S2
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.01770121
Names & identifiers
- Preferred name
- (3Z)-3-(5-(4-Methoxyphenyl)-3H-1,2-dithiol-3-ylidene)-6-methyl-2H-pyran-2,4(3H)-dione
- IUPAC
- (3Z)-3-[5-(4-methoxyphenyl)dithiol-3-ylidene]-6-methylpyran-2,4-dione
Names & synonyms
NSC 29392663520-81-0(3Z)-3-(5-(4-Methoxyphenyl)-3H-1,2-dithiol-3-ylidene)-6-methyl-2H-pyran-2,4(3H)-dioneNSC293926(3Z)-3-[5-(4-Methoxyphenyl)-3H-1,2-dithiol-3-ylidene]-6-methyl-2H-pyran-2,4(3H)-dione(3Z)-3-[5-(4-methoxyphenyl)dithiol-3-ylidene]-6-methyl-pyran-2,4-dione
Database identifiers
- CAS
63520-81-0- PubChem CID
- 3000656
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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