2-Phenyl-1,2-dihydroisothiochromeno(4,3-c)pyrazol-3(5H)-one
Basic information
- CAS
59961-27-2- Standard SMILES
O=c1c2c([nH]n1-c1ccccc1)-c1ccccc1CS2- InChIKey
ZSQFBFDZTRDPQI-UHFFFAOYSA-N- Molecular formula
- C16H12N2OS
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.06703418
Names & identifiers
- Preferred name
- 2-Phenyl-1,2-dihydroisothiochromeno(4,3-c)pyrazol-3(5H)-one
- IUPAC
- 2-phenyl-1,5-dihydroisothiochromeno[4,3-c]pyrazol-3-one
Names & synonyms
59961-27-22M37Z9UV0V2-Phenyl-1,2-dihydroisothiochromeno(4,3-c)pyrazol-3(5H)-oneUNII-2M37Z9UV0VNSC 297912NSC-297912DTXSID302086782-Phenyl-1,2-dihydroisothiochromeno[4,3-c]pyrazol-3(5H)-one(2)BENZOTHIOPYRANO(4,3-C)PYRAZOL-3(5H)-ONE, 1,2-DIHYDRO-2-PHENYL-RefChem:89025DTXCID80131169NSC297912
Show more names
2-phenyl-1,5-dihydroisothiochromeno[4,3-c]pyrazol-3-one2-Phenyl-1,2-dihydro[2]benzothiopyrano[4,3-c]pyrazol-3(5H)-one
Database identifiers
- CAS
59961-27-2- PubChem CID
- 326472
- DTXSID
DTXSID30208678- UNII
- 2M37Z9UV0V
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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