Basic information
- CAS
93334-78-2- Standard SMILES
Clc1ncnc2c1ncn2C1CCCS1- InChIKey
JLBJEKUNNJYHNS-UHFFFAOYSA-N- Molecular formula
- C9H9ClN4S
- Average molar mass
- 240.71 g/mol
- Monoisotopic mass
- 240.0236452
Names & identifiers
- Preferred name
- 6-Chloro-9-(tetrahydrothiophen-2-yl)-9h-purine
- IUPAC
- 6-chloro-9-(thiolan-2-yl)purine
Names & synonyms
6-chloro-9-(tetrahydrothiophen-2-yl)-9h-purine6-Chloro-9-(thiolan-2-yl)-9H-purine145220-14-093334-78-2NSC56934SCHEMBL14983405DTXSID50288619NSC-56934
Database identifiers
- CAS
93334-78-2- PubChem CID
- 245219
- DTXSID
DTXSID50288619- Nikkaji
- J1.832.343E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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