3-Methyl-5-phenyl-3,6-dihydro-2H-1,3,4-selenadiazin-2-imine
Basic information
- CAS
89515-77-5- Standard SMILES
CN1N=C(c2ccccc2)C[Se]C1=N- InChIKey
LMRAHTFOOWTRQE-UHFFFAOYSA-N- Molecular formula
- C10H11N3Se
- Average molar mass
- 252.19 g/mol
- Monoisotopic mass
- 253.01182
Names & identifiers
- Preferred name
- 3-Methyl-5-phenyl-3,6-dihydro-2H-1,3,4-selenadiazin-2-imine
- IUPAC
- 3-methyl-5-phenyl-6H-1,3,4-selenadiazin-2-imine
Names & synonyms
89515-77-5DTXSID505311723-Methyl-5-phenyl-3,6-dihydro-2H-1,3,4-selenadiazin-2-imine
Database identifiers
- CAS
89515-77-5- PubChem CID
- 13239397
- DTXSID
DTXSID50531172
Properties
Computed structural properties
- Topological polar surface area
- 39.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
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Compound notes
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