9-Ethyl-6-(methylsulfanyl)-9h-purin-2-amine

HCID 235451

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Basic information

CAS: 13153-64-5
Standard SMILES: CCn1cnc2c(SC)nc(N)nc21
InChIKey: NLCAECHDWMZGNG-UHFFFAOYSA-N
Molecular formula: C8H11N5S
Average molar mass: 209.27 g/mol
Monoisotopic mass: 209.07351655

Names & identifiers

Preferred name: 9-Ethyl-6-(methylsulfanyl)-9h-purin-2-amine
IUPAC: 9-ethyl-6-methylsulfanylpurin-2-amine

Names & synonyms

13153-64-59-ethyl-6-(methylthio)-9H-purin-2-amine9-ethyl-6-(methylsulfanyl)-9h-purin-2-amineNSC36836DTXSID80284341NSC-36836SKI 244899H-Purine, 2-amino-9-ethyl-6-(methylthio)-

Database identifiers

CAS: 13153-64-5
PubChem CID: 235451
DTXSID: DTXSID80284341

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 94.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 202

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