1,2,3,9-Tetrahydro-1-methyl-2-thioxo-6H-purin-6-one
Basic information
- CAS
91184-08-6- Standard SMILES
Cn1c(=S)[nH]c2nc[nH]c2c1=O- InChIKey
DHBWRFRROOLLSQ-UHFFFAOYSA-N- Molecular formula
- C6H6N4OS
- Average molar mass
- 182.21 g/mol
- Monoisotopic mass
- 182.026232
Names & identifiers
- Preferred name
- 1,2,3,9-Tetrahydro-1-methyl-2-thioxo-6H-purin-6-one
- IUPAC
- 1-methyl-2-sulfanylidene-3,7-dihydropurin-6-one
Names & synonyms
SCHEMBL54372271,2,3,9-Tetrahydro-1-methyl-2-thioxo-6H-purin-6-oneDTXSID00122402391184-08-61-Methyl-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one
Database identifiers
- CAS
91184-08-6- PubChem CID
- 4873565
- DTXSID
DTXSID001224023
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…