Basic information
- CAS
5117-07-7- Standard SMILES
c1ccc(-n2nnnc2SSc2nnnn2-c2ccccc2)cc1- InChIKey
CJXASCLMZSMFTL-UHFFFAOYSA-N- Molecular formula
- C14H10N8S2
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.0469847
Names & identifiers
- Preferred name
- 5,5'-dithiobis(1-phenyl-1H-tetrazole)
- IUPAC
- 1-phenyl-5-[(1-phenyltetrazol-5-yl)disulfanyl]tetrazole
- English name
- 5,5'-Dithiobis(1-phenyl-1H-tetrazole)
- Molecular formula
- C14H10N8S2
- Molecular weight
- 354.41
Names & synonyms
5,5'-Dithiobis(1-phenyl-1H-tetrazole)1H-Tetrazole, 5,5'-dithiobis[1-phenyl-1,1'-Diphenyl-5,5'-dithiobistetrazoleDTXSID8063705EINECS 225-852-21H-Tetrazole, 5,5'-dithiobis(1-phenyl-5,5'-Dithiobis[1-phenyl-1H-tetrazole]RefChem:101021DTXCID9040976225-852-25117-07-71,2-bis(1-phenyl-1H-tetrazol-5-yl)disulfane
Show more names
Diterazole5,5'-DITHIO-BIS(1-PHENYLTETRAZOLE)5,5’-dithiobis[1-phenyl-1h-tetrazolDI-(1-PHENYLTETRAZOLYL-5)-DISULFIDE5,5'-dithio-1,1'-diphenyltetrazoliumDI-(1-PHENYL-TETRAZOLE-5-YL)-DISULFIDE1,1-DIPHENYL-BISTETRAZOLE-5,5'-DISULFIDE
1-phenyl-5-[(1-phenyltetrazol-5-yl)disulfanyl]tetrazole1,1-Diphenyl-bistetrazole-5,5-disulfide5,5-Dithiobis(1-Phenyl-1H-Tetrazole)5,5'-Disulphanediylbis(1-phenyl-1H-tetrazole)5,5'-disulfanediylbis(1-phenyl-1H-tetrazole)1-phenyl-5-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)disulfanyl]-1H-1,2,3,4-tetrazoleF0896-0341C14H10N8S2
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Melting point
- 145 °C · 145 °C (dec.)(lit.)
- Boiling point
- 618.6 · 618.6±38.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- -0.03 · -0.03±0.10(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 5117 · 5117-07-7(CAS DataBase Reference)
- EPA Substance Registry System
- 1 H-Tetrazole, · 1H-Tetrazole, 5,5'-dithiobis[1-phenyl- (5117-07-7)
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Tetrazole, 5,5'-dithiobis[1-phenyl-: INACTIVE
Applications
Uses5,5′-Dithiobis(1-phenyl-1H-tetrazole) may be used in the preparation of 5-(5-nitropyridin-2-yldithio)-1-phenyl-1H-tetrazole.
General Description5,5′-Dithiobis(1-phenyl-1H-tetrazole) is an organic disulphide. Structure of 5,5′-dithiobis(1-phenyl-1H-tetrazole) is reported to have two 1-phenyl-1H-tetra-zole-5-thiol-ate units linked by an S-S disulfide bridge. The photo-cleavage of sulphur-sulphur double bond of 5,5′-dithiobis(1-phenyl-1H-tetrazole) has been investigated by the nanosecond-laser flash photolysis method. The C-S-S-C torsion angle for 5,5′-dithiobis(1-phenyl-1H-tetrazole has been reported to be 81.9(1)°.
Suppliers77 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
格林斯柏生物科技（江苏）有限公司0523-87726088 13705266400 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
武汉吉业升化工有限公司027-83360216 18040558719 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Related reactions
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Compound notes
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