5-(4-Methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
Basic information
- CAS
26229-05-0- Standard SMILES
Cc1ccc(-c2sc([S-])n[n+]2-c2ccccc2)cc1- InChIKey
YTYDICCCFWJOCI-UHFFFAOYSA-N- Molecular formula
- C15H12N2S2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.04419074
Names & identifiers
- Preferred name
- 5-(4-Methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
- IUPAC
- 5-(4-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
- English name
- 5-(4-Methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
- Molecular formula
- C15H12N2S2
- Molecular weight
- 0
Names & synonyms
26229-05-05-(4-Methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolateDTXSID60345707RefChem:300071DTXCID602967802-(4-Methylphenyl)-3-phenyl-1,3,4-thiadiazol-3-ium-5-thiolate5-thioxo-3-phenyl-2-p-tolyl-4,5-dihydro-[1,3,4]thiadiazolium betaine
Database identifiers
- CAS
26229-05-0- PubChem CID
- 606535
- DTXSID
DTXSID60345707- Nikkaji
- J133.609F
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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