Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-(4-bromophenyl)-
Basic information
- CAS
152423-17-1- Standard SMILES
S=c1c2cn[nH]c2nc2scc(-c3ccc(Br)cc3)n12- InChIKey
GCAYKNDJRBTKON-UHFFFAOYSA-N- Molecular formula
- C13H7BrN4S2
- Average molar mass
- 363.3 g/mol
- Monoisotopic mass
- 361.92955
Names & identifiers
- Preferred name
- Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-(4-bromophenyl)-
- IUPAC
- 12-(4-bromophenyl)-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-bromophenyl)-6-(4-Bromophenyl)pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione152423-17-1DTXSID60165028RefChem:376275DTXCID60875196-(4-Bromophenyl)pyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidine-4(1H)-thione
Database identifiers
- CAS
152423-17-1- PubChem CID
- 3073772
- DTXSID
DTXSID60165028- Nikkaji
- J551.031G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 499
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Compound notes
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