Basic information
- CAS
82499-11-4- Standard SMILES
CCS(=O)(=O)c1ncnc2nc[nH]c12- InChIKey
RVSSFECMBRQIOD-UHFFFAOYSA-N- Molecular formula
- C7H8N4O2S
- Average molar mass
- 212.23 g/mol
- Monoisotopic mass
- 212.03679668
Names & identifiers
- Preferred name
- Purine, 6-(ethylsulfonyl)-
- IUPAC
- 6-ethylsulfonyl-7H-purine
- English name
- 6-(Ethylsulfonyl)purine
- Molecular formula
- C7H8N4O2S
- Molecular weight
- 212.23
Names & synonyms
Purine, 6-(ethylsulfonyl)-82499-11-46-(Ethylsulfonyl)purine6-(ethylsulfonyl)-7H-purinePC 100BNSC 34481BRN 0018536DTXSID30231784NSC34481NSC-344816-(ETHANESULFONYL)-7H-PURINE9H-Purine, 6-(ethylsulfonyl)-
Database identifiers
- CAS
82499-11-4- PubChem CID
- 5484331
- DTXSID
DTXSID30231784
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 402.8 · 402.8±55.0 °C(Predicted)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- pka
- 6.4 · 6.40±0.20(Predicted)
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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