Purine, 7-methyl-6-(methylthio)-
Basic information
- CAS
1008-01-1- Standard SMILES
CSc1ncnc2ncn(C)c12- InChIKey
WGZQCBOLSZNNRW-UHFFFAOYSA-N- Molecular formula
- C7H8N4S
- Average molar mass
- 180.23 g/mol
- Monoisotopic mass
- 180.04696745
Names & identifiers
- Preferred name
- Purine, 7-methyl-6-(methylthio)-
- IUPAC
- 7-methyl-6-methylsulfanylpurine
- English name
- 7-Methyl-6-methylthio-7H-purine
- Molecular formula
- C7H8N4S
- Molecular weight
- 180.23
Names & synonyms
Purine, 7-methyl-6-(methylthio)-1008-01-17H-Purine, 7-methyl-6-(methylthio)-7-Methyl-6-methylmercaptopurineDTXSID50280996RefChem:177298DTXCID30232150WGZQCBOLSZNNRW-UHFFFAOYSA-N7-methyl-6-(methylthio)-7H-purine7-methyl-6-methylsulfanylpurine7-Methyl-6-methylthio-7H-purineMLS002638699
Show more names
NSC196487H-Purine,7-methyl-6-(methylthio)-7-methyl-6-(methylsulfanyl)-7H-purine7-methyl-6-methylthiopurineCHEMBL1896165SCHEMBL10296681HMS3086H11NSC-19648
Database identifiers
- CAS
1008-01-1- PubChem CID
- 227692
- DTXSID
DTXSID50280996- ChEMBL
CHEMBL1896165- Nikkaji
- J13.543G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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