Basic information
- CAS
873436-88-5- Standard SMILES
Nc1ncnc2nc(Sc3ccc4c(c3)OCO4)[nH]c12- InChIKey
LGBDNSGYOVMKIT-UHFFFAOYSA-N- Molecular formula
- C12H9N5O2S
- Average molar mass
- 287.3 g/mol
- Monoisotopic mass
- 287.04769572
Names & identifiers
- Preferred name
- 8-(benzo[d][1,3]dioxol-5-ylthio)-9H-purin-6-amine
- IUPAC
- 8-(1,3-benzodioxol-5-ylsulfanyl)-7H-purin-6-amine
Names & synonyms
8-(benzo[d][1,3]dioxol-5-ylthio)-9H-purin-6-amine873436-88-58-(1,3-benzodioxol-5-ylsulfanyl)-7H-purin-6-amine8-(1,3-benzodioxol-5-ylthio)-9h-purin-6-amine9H-Purin-6-amine, 8-(1,3-benzodioxol-5-ylthio)-SCHEMBL3115737LGBDNSGYOVMKIT-UHFFFAOYSA-NDTXSID7012537488-[(2H-1,3-Benzodioxol-5-yl)sulfanyl]-7H-purin-6-amine
Database identifiers
- CAS
873436-88-5- PubChem CID
- 11637810
- DTXSID
DTXSID701253748
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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