Basic information
- CAS
14666-87-6- Standard SMILES
CCCCn1cnc2c(SC)nc(N)nc21- InChIKey
RDWMLSHSWHGYNU-UHFFFAOYSA-N- Molecular formula
- C10H15N5S
- Average molar mass
- 237.33 g/mol
- Monoisotopic mass
- 237.10481667
Names & identifiers
- Preferred name
- 9H-Purin-2-amine, 9-butyl-6-(methylthio)-
- IUPAC
- 9-butyl-6-methylsulfanylpurin-2-amine
Names & synonyms
14666-87-69H-Purin-2-amine, 9-butyl-6-(methylthio)-DTXSID60285154RefChem:313544DTXCID802363059-butyl-6-(methylthio)-9H-purin-2-amineCHEMBL259986NSC406679H-Purine, 2-amino-9-butyl-6-(methylthio)-BDBM50412035NSC-406679-Butyl-6-(methylsulfanyl)-9H-purin-2-amine
Database identifiers
- CAS
14666-87-6- PubChem CID
- 237307
- DTXSID
DTXSID60285154- ChEMBL
CHEMBL259986
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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