Basic information
- CAS
25746-68-3- Standard SMILES
c1ccc(-n2nnnc2SCSc2nnnn2-c2ccccc2)cc1- InChIKey
ITYQPHYYWDPLSL-UHFFFAOYSA-N- Molecular formula
- C15H12N8S2
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.06263476
Names & identifiers
- Preferred name
- 1H-Tetrazole, 5,5'-(methylenebis(thio))bis(1-phenyl-
- IUPAC
- 1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
- English name
- 5,5'-(Methylenebisthio)bis(1-phenyl-1H-tetrazole)
- Molecular formula
- C15H12N8S2
- Molecular weight
- 368.44
Names & synonyms
1H-Tetrazole, 5,5'-[methylenebis(thio)]bis[1-phenyl-25746-68-3DTXSID803393601H-Tetrazole, 5,5'-(methylenedithio)bis*1-phenyl-1H-Tetrazole, 5,5'-[methylenebis(thio)]bis*1-phenyl-1H-Tetrazole, 5,5'-(methylenebis(thio))bis(1-phenyl-1H-Tetrazole, 5,5'-(methylenebis(thio))bis*1-phenyl-RefChem:240910DTXCID20290441ITYQPHYYWDPLSL-UHFFFAOYSA-N1-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole1-phenyl-5-[(1-phenyl(1,2,3,4-tetraazol-5-ylthio))methylthio]-1,2,3,4-tetraazo le
Show more names
5,5'-(Methylenebisthio)bis(1-phenyl-1H-tetrazole)1H-Tetrazole, 5,5'-[methylenebis(thio)]bis[1-phenyl- (9CI)
AKOS024274958bis(1-phenyltetrazol-5-ylsulfanyl)methaneST009330SR-01000394323SR-01000394323-15,5'-[Methylenebis(sulfanediyl)]bis(1-phenyl-1H-tetrazole)1-Phenyl-5-(([(1-phenyl-1H-tetraazol-5-yl)sulfanyl]methyl)sulfanyl)-1H-tetraazole #
Database identifiers
- CAS
25746-68-3- PubChem CID
- 555641
- DTXSID
DTXSID80339360- Nikkaji
- J143.933B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Melting point
- 132 °C · 132 °C
- Boiling point
- 613.1 · 613.1±65.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 0.19 · 0.19±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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