2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
Basic information
- CAS
52948-43-3- Standard SMILES
CSc1nc2c(=O)[nH]cnc2s1- InChIKey
LXVWBVAOOCQCIF-UHFFFAOYSA-N- Molecular formula
- C6H5N3OS2
- Average molar mass
- 199.3 g/mol
- Monoisotopic mass
- 198.98740414
Names & identifiers
- Preferred name
- 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
- IUPAC
- 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
Names & synonyms
MLS00317121852948-43-3NSC365625SCHEMBL27250213DTXSID20320858NSC-365625SMR001875124DB-344404Thiazolo[5,4-d]pyrimidin-7(4H)-one, 2-(methylthio)-2-(Methylsulfanyl)[1,3]thiazolo[5,4-d]pyrimidin-7(6H)-one
Database identifiers
- CAS
52948-43-3- PubChem CID
- 339351
- DTXSID
DTXSID20320858
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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