Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-phenyl-

HCID 3073771

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Basic information

CAS: 152423-15-9
Standard SMILES: S=c1c2cn[nH]c2nc2scc(-c3ccccc3)n12
InChIKey: GZKLZXUNCZXJCM-UHFFFAOYSA-N
Molecular formula: C13H8N4S2
Average molar mass: 284.4 g/mol
Monoisotopic mass: 284.01903862

Names & identifiers

Preferred name: Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-phenyl-
IUPAC: 12-phenyl-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-phenyl-6-Phenylpyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione152423-15-9DTXSID40165026RefChem:376279DTXCID60875176-Phenylpyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidine-4(1H)-thione

Database identifiers

CAS: 152423-15-9
PubChem CID: 3073771
DTXSID: DTXSID40165026
Nikkaji: J551.029E

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 102 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 467

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