Basic information
- CAS
29877-81-4- Standard SMILES
CSc1nc(=O)c2cc[nH]c2n1C- InChIKey
HAUWJAHVIMSZJV-UHFFFAOYSA-N- Molecular formula
- C8H9N3OS
- Average molar mass
- 195.24 g/mol
- Monoisotopic mass
- 195.04663309
Names & identifiers
- Preferred name
- 1-Methyl-2-(methylsulfanyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
- IUPAC
- 1-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
Names & synonyms
29877-81-41-Methyl-2-(methylthio)-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one1-methyl-2-(methylsulfanyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-oneNSC138166DTXSID303006614H-Pyrrolo[2,3-d]pyrimidin-4-one,1,7-dihydro-1-methyl-2-(methylthio)-NSC-138166DS-015138
Database identifiers
- CAS
29877-81-4- PubChem CID
- 283441
- DTXSID
DTXSID30300661
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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