AJ-797/37155021
Basic information
- CAS
6450-60-8- Standard SMILES
CC1=NN(c2ccccc2)S2=C1C=C(c1ccccc1)S2- InChIKey
YGUXUVUWLPDPDS-UHFFFAOYSA-N- Molecular formula
- C17H14N2S2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.0598408
Names & identifiers
- Preferred name
- AJ-797/37155021
- IUPAC
- 4-methyl-2,7-diphenyl-1λ4,8-dithia-2,3-diazabicyclo[3.3.0]octa-1(5),3,6-triene
Names & synonyms
6450-60-8DTXSID00409695AJ-797/37155021RefChem:317864DTXCID703605473-methyl-1,5-diphenyl-1H-7lambda~4~-[1,2]dithiolo[5,1-e][1,2,3]thiadiazole4-Methyl-2,7-diphenyl-1lambda4,8-dithia-2,3-diazabicyclo[3.3.0]octa-1(5),3,6-triene
Database identifiers
- CAS
6450-60-8- PubChem CID
- 5203580
- DTXSID
DTXSID00409695
Properties
Computed structural properties
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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