2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one
Basic information
- CAS
98550-20-0- Standard SMILES
CSc1ncc2[nH]c(=S)[nH]c(=O)c2n1- InChIKey
GMCHGQDVULMFJA-UHFFFAOYSA-N- Molecular formula
- C7H6N4OS2
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 225.99830317
Names & identifiers
- Preferred name
- 2,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-one
- IUPAC
- 2-methylsulfanyl-6-sulfanylidene-5H-pyrimido[5,4-d]pyrimidin-8-one
Names & synonyms
NSC515663DTXSID4011579732,3-Dihydro-6-(methylthio)-2-thioxopyrimido[5,4-d]pyrimidin-4(1H)-oneNSC-51566398550-20-06-(Methylsulfanyl)-2-sulfanylidene-2,3-dihydropyrimido[5,4-d]pyrimidin-4(1H)-one
Database identifiers
- CAS
98550-20-0- PubChem CID
- 3915425
- DTXSID
DTXSID401157973
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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