Basic information
- CAS
10179-95-0- Standard SMILES
CSc1ncc2[nH]c(SC)nc2n1- InChIKey
SLWGPMQRESBAGB-UHFFFAOYSA-N- Molecular formula
- C7H8N4S2
- Average molar mass
- 212.3 g/mol
- Monoisotopic mass
- 212.01903862
Names & identifiers
- Preferred name
- 2,8-Bis(methylsulfanyl)-7h-purine
- IUPAC
- 2,8-bis(methylsulfanyl)-7H-purine
Names & synonyms
10179-95-02,8-bis(methylsulfanyl)-7h-purineDTXSID00283033RefChem:248940DTXCID802341842,8-Bis(methylthio)-9H-purine9H-Purine,2,8-bis(methylthio)-NSC291902,8-dimethylthiopurinepurine, 2,8-bismethylthio-NSC-29190DS-006184
Database identifiers
- CAS
10179-95-0- PubChem CID
- 232140
- DTXSID
DTXSID00283033- Nikkaji
- J457.133I
Properties
Computed structural properties
- XLogP
- 1.8
- 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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