3,11-Dithia-17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
Basic information
- CAS
62202-78-2- Standard SMILES
c1cc2nc(c1)CSCCCCCCCSC2- InChIKey
AQNYSTGEYKUIAE-UHFFFAOYSA-N- Molecular formula
- C14H21NS2
- Average molar mass
- 267.5 g/mol
- Monoisotopic mass
- 267.11154202
Names & identifiers
- Preferred name
- 3,11-Dithia-17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
- IUPAC
- 3,11-dithia-17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
Names & synonyms
62202-78-23,11-dithia-17-azabicyclo[11.3.1]heptadeca-1(17),13,15-trieneNSC227835DTXSID90310488NSC-227835
Database identifiers
- CAS
62202-78-2- PubChem CID
- 313469
- DTXSID
DTXSID90310488
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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