8-butylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione
Basic information
- CAS
6616-06-4- Standard SMILES
CCCCSc1nc2c([nH]1)c(=S)n(C)c(=S)n2C- InChIKey
CAQUOAQDZQHIDT-UHFFFAOYSA-N- Molecular formula
- C11H16N4S3
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.05371005
Names & identifiers
- Preferred name
- 8-butylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione
- IUPAC
- 8-butylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione
Names & synonyms
NSC958876616-06-4DTXSID40393226NSC-958878-(Butylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dithione
Database identifiers
- CAS
6616-06-4- PubChem CID
- 3516488
- DTXSID
DTXSID40393226
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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