Basic information
- CAS
10179-91-6- Standard SMILES
CS(=O)(=O)c1nc2ncncc2[nH]1- InChIKey
JVDLELCXTCJCSN-UHFFFAOYSA-N- Molecular formula
- C6H6N4O2S
- Average molar mass
- 198.21 g/mol
- Monoisotopic mass
- 198.02114662
Names & identifiers
- Preferred name
- 8-methylsulfonyl-7H-purine
- IUPAC
- 8-methylsulfonyl-7H-purine
Names & synonyms
10179-91-68-methylsulfonyl-7H-purineDTXSID80286522RefChem:312225DTXCID402376718-(Methylsulfonyl)-9H-purine9H-Purine, 8-(methylsulfonyl)-NSC46317purine, 8-methylsulphonyl-Purine, 8-(methylsulfonyl)-,SCHEMBL44214178-(Methanesulfonyl)-7H-purine
Show more names
NSC-46317
Database identifiers
- CAS
10179-91-6- PubChem CID
- 240239
- DTXSID
DTXSID80286522
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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