Basic information
- CAS
91846-91-2- Standard SMILES
S=c1c2[nH]cnc2ncn1CCS- InChIKey
KZDDPDNZBZAODF-UHFFFAOYSA-N- Molecular formula
- C7H8N4S2
- Average molar mass
- 212.3 g/mol
- Monoisotopic mass
- 212.01903862
Names & identifiers
- Preferred name
- 1-(2-sulfanylethyl)-7H-purine-6-thione
- IUPAC
- 1-(2-sulfanylethyl)-7H-purine-6-thione
Names & synonyms
91846-91-21-(2-sulfanylethyl)-7H-purine-6-thioneNSC404823DTXSID90394889NSC-4048231-(2-sulfanylethyl)-1,7-dihydro-6H-purine-6-thione
Database identifiers
- CAS
91846-91-2- PubChem CID
- 3672850
- DTXSID
DTXSID90394889
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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