2-Phenyl-2-(2-phenyl-1,3-dithian-2-yl)aziridine
Basic information
- CAS
41414-81-7- Standard SMILES
c1ccc(C2(C3(c4ccccc4)SCCCS3)CN2)cc1- InChIKey
PSOIGJZSMFLQPQ-UHFFFAOYSA-N- Molecular formula
- C18H19NS2
- Average molar mass
- 313.5 g/mol
- Monoisotopic mass
- 313.09589196
Names & identifiers
- Preferred name
- 2-Phenyl-2-(2-phenyl-1,3-dithian-2-yl)aziridine
- IUPAC
- 2-phenyl-2-(2-phenyl-1,3-dithian-2-yl)aziridine
Names & synonyms
41414-81-72-phenyl-2-(2-phenyl-1,3-dithian-2-yl)aziridineNSC167305DTXSID50329874NSC-167305
Database identifiers
- CAS
41414-81-7- PubChem CID
- 424659
- DTXSID
DTXSID50329874
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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