5-(Mesityldithio)-1-phenyl-1H-tetraazole
Basic information
- CAS
52065-84-6- Standard SMILES
Cc1cc(C)c(SSc2nnnn2-c2ccccc2)c(C)c1- InChIKey
JGTXTOWSOSIGCT-UHFFFAOYSA-N- Molecular formula
- C16H16N4S2
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.08163887
Names & identifiers
- Preferred name
- 5-(Mesityldithio)-1-phenyl-1H-tetraazole
- IUPAC
- 1-phenyl-5-[(2,4,6-trimethylphenyl)disulfanyl]tetrazole
Names & synonyms
5-(Mesityldithio)-1-phenyl-1H-tetraazole3D2SQ2T3PN52065-84-6UNII-3D2SQ2T3PNNSC 297589NSC-297589DTXSID002000431-PHENYL-5-((2,4,6-TRIMETHYLPHENYL)DITHIO)-1H-TETRAZOLE1H-TETRAZOLE, 1-PHENYL-5-((2,4,6-TRIMETHYLPHENYL)DITHIO)-RefChem:101807DTXCID00122534NSC297589
Show more names
MLS0031157201-phenyl-5-[(2,4,6-trimethylphenyl)disulfanyl]tetrazoleCHEMBL2133298SMR001831291Mesityl 1-phenyl-1H-tetraazol-5-yl disulfide1-Phenyl-5-[(2,4,6-trimethylphenyl)disulfanyl]-1H-tetrazole
Database identifiers
- CAS
52065-84-6- PubChem CID
- 326374
- DTXSID
DTXSID00200043- ChEMBL
CHEMBL2133298- UNII
- 3D2SQ2T3PN
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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