Basic information
- CAS
7468-71-5- Standard SMILES
C=CCSc1nc2c(=O)n(C)c(=O)n(C)c2n1C- InChIKey
YNLBZODPOHLOES-UHFFFAOYSA-N- Molecular formula
- C11H14N4O2S
- Average molar mass
- 266.32 g/mol
- Monoisotopic mass
- 266.08374688
Names & identifiers
- Preferred name
- 1,3,9-Trimethyl-8-prop-2-enylsulfanylpurine-2,6-dione
- IUPAC
- 1,3,9-trimethyl-8-prop-2-enylsulfanylpurine-2,6-dione
Names & synonyms
NSC4001627468-71-5DTXSID20321981NSC-4001621,3,9-Trimethyl-8-[(prop-2-en-1-yl)sulfanyl]-3,9-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
7468-71-5- PubChem CID
- 343702
- DTXSID
DTXSID20321981
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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