Purine, 6-(isobutylthio)-
Basic information
- CAS
82499-06-7- Standard SMILES
CC(C)CSc1ncnc2nc[nH]c12- InChIKey
HBFAIQHZZSJMFS-UHFFFAOYSA-N- Molecular formula
- C9H12N4S
- Average molar mass
- 208.29 g/mol
- Monoisotopic mass
- 208.07826757
Names & identifiers
- Preferred name
- Purine, 6-(isobutylthio)-
- IUPAC
- 6-(2-methylpropylsulfanyl)-7H-purine
Names & synonyms
Purine, 6-(isobutylthio)-82499-06-7DTXSID90231780RefChem:1097165DTXCID201542711H-Purine, 6-[(2-methylpropyl)thio]-1H-Purine, 6-((2-methylpropyl)thio)-6-(Isobutylthio)purineNSC 227686-((2-Methylpropyl)thio)purineBRN 0011530AI3-50263
Show more names
6-[(2-methylpropyl)sulfanyl]-7H-purine6-(isobutylthio)-7h-purineNSC22768NSC-22768
Database identifiers
- CAS
82499-06-7- PubChem CID
- 95190
- DTXSID
DTXSID90231780
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
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Compound notes
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