6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine
Basic information
- CAS
2846-84-6- Standard SMILES
Nc1nc(SCc2ccccc2)c2ncn(CCCl)c2n1- InChIKey
VGUUZKDHSQUQAN-UHFFFAOYSA-N- Molecular formula
- C14H14ClN5S
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.0658443
Names & identifiers
- Preferred name
- 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine
- IUPAC
- 6-benzylsulfanyl-9-(2-chloroethyl)purin-2-amine
Names & synonyms
2846-84-66-(Benzylthio)-9-(2-chloroethyl)-9H-purin-2-amine6-(benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amineNSC87093DTXSID70293068NSC-870939H-Purine, 2-amino-6-(benzylthio)-9-(2-chloroethyl)-
Database identifiers
- CAS
2846-84-6- PubChem CID
- 258302
- DTXSID
DTXSID70293068
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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