Basic information
- CAS
340213-60-7- Standard SMILES
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccco1- InChIKey
OGXIMLCYHKUXSN-XYOKQWHBSA-N- Molecular formula
- C15H9ClN2O3S
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.002241
Names & identifiers
- Preferred name
- (5E)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
- IUPAC
- (5E)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
(5E)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione340213-60-7AC1LHRBVSCHEMBL2493268DTXSID80357781NSC727417NSC-727417AB00093254-01SR-01000216823SR-01000216823-1(5E)-1-(4-Chlorophenyl)-5-[(furan-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Database identifiers
- CAS
340213-60-7- PubChem CID
- 867945
- DTXSID
DTXSID80357781
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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