Purine-6-thione

HCID 185097

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Basic information

CAS: 91220-43-8
Standard SMILES: S=C1N=CN=C2N=CN=C12
InChIKey: CNCZCYFROMADJV-UHFFFAOYSA-N
Molecular formula: C5H2N4S
Average molar mass: 150.16 g/mol
Monoisotopic mass: 150.00001725

Names & identifiers

Preferred name: Purine-6-thione
IUPAC: purine-6-thione

Names & synonyms

Purine-6-thione91220-43-8DTXSID90238451RefChem:375839DTXCID101609426H-Purine-6-thione6-purinethioneSCHEMBL157261NCGC00094717-04NCGC00178880-01NS00100957

Database identifiers

CAS: 91220-43-8
PubChem CID: 185097
DTXSID: DTXSID90238451
Nikkaji: J951.234I

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 81.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 310

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Compound notes

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