Basic information
- CAS
1201-58-7- Standard SMILES
CSc1nc(SC)c2[nH]cnc2n1- InChIKey
QLBHIPFBFNPVKW-UHFFFAOYSA-N- Molecular formula
- C7H8N4S2
- Average molar mass
- 212.3 g/mol
- Monoisotopic mass
- 212.01903862
Names & identifiers
- Preferred name
- 1H-Purine, 2,6-bis(methylthio)-
- IUPAC
- 2,6-bis(methylsulfanyl)-7H-purine
Names & synonyms
1H-Purine, 2,6-bis(methylthio)-2,6-Bismethylthiopurine1201-58-72,6-Bis(methylthio)-1H-purineDTXSID80152677NSC 29191RefChem:239481DTXCID4075168NSC6858002,6-bis(methylsulfanyl)-1H-purine2,6-bis(methylsulfanyl)-7H-purine2,6-dimethylthiopurine
Show more names
SCHEMBL7632542,6-Bis(methylthio)-9H-purineNSC291912,6-bis(methylsulfanyl)-9H-purineNSC-29191NSC-6858009H-PURINE, 2,6-BIS(METHYLTHIO)-DB-342144
Database identifiers
- CAS
1201-58-7- PubChem CID
- 95680
- DTXSID
DTXSID80152677
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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