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Basic information
- Standard SMILES
c1ccc(CSc2ncnc3nsnc23)cc1- InChIKey
RESWPOAQXSCCNT-UHFFFAOYSA-N- Molecular formula
- C11H8N4S2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.01903862
Names & identifiers
- Preferred name
- 7-Benzylsulfanyl-[1,2,5]thiadiazolo[3,4-d]pyrimidine
- IUPAC
- 7-benzylsulfanyl-[1,2,5]thiadiazolo[3,4-d]pyrimidine
Names & synonyms
NSC52373NSC-52373
Database identifiers
- PubChem CID
- 243129
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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