Basic information
- CAS
92494-53-6- Standard SMILES
CCCn1cnc2c(SCc3ccccc3Cl)nc(N)nc21- InChIKey
ZITJURWWDLKJNF-UHFFFAOYSA-N- Molecular formula
- C15H16ClN5S
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.0814944
Names & identifiers
- Preferred name
- 6-((2-chlorobenzyl)thio)-9-propyl-9H-purin-2-amine
- IUPAC
- 6-[(2-chlorophenyl)methylsulfanyl]-9-propylpurin-2-amine
- English name
- 6-[(2-chlorophenyl)methylsulfanyl]-9-propyl-purin-2-amine
- Molecular formula
- C15H16ClN5S
- Molecular weight
- 0
Names & synonyms
92494-53-66-((2-chlorobenzyl)thio)-9-propyl-9H-purin-2-amineMLS002608633PC 287CHEMBL1899264DTXSID20286283HMS3091G10NSC44580NSC-44580SMR0015273799H-Purine, 2-amino-6-(o-chlorobenzylthio)-9-propyl-6-{[(2-Chlorophenyl)methyl]sulfanyl}-9-propyl-9H-purin-2-amine
Show more names
6-[(2-chlorophenyl)methylsulfanyl]-9-propyl-purin-2-amine
9H-Purin-2-amine, 6-[[(2-chlorophenyl)methyl]thio]-9-propyl-
Database identifiers
- CAS
92494-53-6- PubChem CID
- 239486
- DTXSID
DTXSID20286283- ChEMBL
CHEMBL1899264
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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