Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-(4-fluorophenyl)-
Basic information
- CAS
152423-18-2- Standard SMILES
Fc1ccc(-c2csc3nc4[nH]ncc4c(=S)n23)cc1- InChIKey
KOTHELHSWVHJIB-UHFFFAOYSA-N- Molecular formula
- C13H7FN4S2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.00961675
Names & identifiers
- Preferred name
- Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-(4-fluorophenyl)-
- IUPAC
- 12-(4-fluorophenyl)-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene-2-thione
Names & synonyms
Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-(4-fluorophenyl)-6-(4-Fluorophenyl)pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione152423-18-2DTXSID20165029RefChem:376277DTXCID50875206-(4-Fluorophenyl)pyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidine-4(1H)-thione
Database identifiers
- CAS
152423-18-2- PubChem CID
- 3073773
- DTXSID
DTXSID20165029- Nikkaji
- J551.032E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 499
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Related reactions
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Compound notes
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