Basic information
- CAS
74039-26-2- Standard SMILES
CSc1nc(N)c2c(n1)=NC=NS=2(=O)O- InChIKey
QTTZQBCJZVMAMR-UHFFFAOYSA-N- Molecular formula
- C6H7N5O2S2
- Average molar mass
- 245.3 g/mol
- Monoisotopic mass
- 245.00411683
Names & identifiers
- Preferred name
- Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide
- IUPAC
- 2-hydroxy-8-methylsulfanyl-2-oxo-2λ6-thia-3,5,7,9-tetrazabicyclo[4.4.0]deca-1,3,5,7,9-pentaen-10-amine
Names & synonyms
NSC 65394BRN 10000758-Amino-6-methylthio-1,2,4-pyrimido(4,5-e)thiadiazine 1,1-dioxide2H-Pyrimido(4,5-e)-1,2,4-thiadiazin-8-amine, 6-(methylthio)-, 1,1-dioxidePyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxideRefChem:3777752H-Pyrimido(4,5-e)-1,2,4-thiadiazin-8-amine, 6-(methylthio)-, 1,1-dioxide (9CI)74039-26-2NCIOpen2_003058
Database identifiers
- CAS
74039-26-2- PubChem CID
- 96281
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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