Basic information
- CAS
64648-31-3- Standard SMILES
COC(=O)C1=NNC2(c3ccccc3Sc3ccccc32)C1C(=O)OC- InChIKey
GHHOYJUHYLRLBX-UHFFFAOYSA-N- Molecular formula
- C19H16N2O4S
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.08307817
Names & identifiers
- Preferred name
- Dimethyl spiro[1,4-dihydropyrazole-5,9'-thioxanthene]-3,4-dicarboxylate
- IUPAC
- dimethyl spiro[1,4-dihydropyrazole-5,9'-thioxanthene]-3,4-dicarboxylate
Names & synonyms
64648-31-3NSC358247dimethyl spiro[1,4-dihydropyrazole-5,9'-thioxanthene]-3,4-dicarboxylateDTXSID90320340NSC-358247Dimethyl 2,4-dihydrospiro[pyrazole-3,9'-thioxanthene]-4,5-dicarboxylate
Database identifiers
- CAS
64648-31-3- PubChem CID
- 337941
- DTXSID
DTXSID90320340
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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