5,5'-Dithiobis(1-phenyl-1H-tetrazole) supplier

Name
5,5'-Dithiobis(1-phenyl-1H-tetrazole)
EINECS 225-852-2
CAS No. 5117-07-7
Article Data13
CAS DataBase
Density 1.59g/cm³
Solubility
Melting Point 145 °C (dec.)(lit.)
Formula C₁₄H₁₀N₈S₂
Boiling Point 618.6 °C at 760 mmHg
Molecular Weight 354.419
Flash Point 327.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Tetrazole,5,5-dithiobis[1-phenyl- (7CI);5,5'-Dithiobis(1-phenyl-1H-tetrazole);Bis(1-phenyl-1H-tetrazol-5-yl)disulfide;
PSA 137.80000
LogP 2.43740

5,5'-Dithiobis(1-phenyl-1H-tetrazole) Specification

The 5,5'-Dithiobis(1-phenyl-1H-tetrazole), with CAS registry number 5117-07-7, belongs to the following product categories: (1)API intermediates; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Tetrazoles. It has the systematic name of 5,5'-disulfanediylbis(1-phenyl-1H-tetrazole). And its IUPAC name is 1-phenyl-5-[(1-phenyltetrazol-5-yl)disulfanyl]tetrazole.

Physical properties about this chemical are: (1)ACD/LogP: 5.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.03; (4)ACD/LogD (pH 7.4): 5.03; (5)ACD/BCF (pH 5.5): 3933.9; (6)ACD/BCF (pH 7.4): 3933.9; (7)ACD/KOC (pH 5.5): 13024.72; (8)ACD/KOC (pH 7.4): 13024.72; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 137.8 Å²; (13)Index of Refraction: 1.84; (14)Molar Refractivity: 98.72 cm³; (15)Molar Volume: 222.7 cm³; (16)Polarizability: 39.13×10^-24cm³; (17)Surface Tension: 77.7 dyne/cm; (18)Enthalpy of Vaporization: 91.71 kJ/mol; (19)Vapour Pressure: 3.15E-15 mmHg at 25°C.

Uses of 5,5'-Dithiobis(1-phenyl-1H-tetrazole): it can be used to produce 1,1-diphenyl-1H,1'H-5,5'-disulfanediyl-bis-tetrazole. This reaction will need reagent aqueous ethanol.H₂O₂, VO_3.

You can still convert the following datas into molecular structure:
(1)SMILES: n2nnn(c1ccccc1)c2SSc4nnnn4c3ccccc3
(2)InChI: InChI=1/C14H10N8S2/c1-3-7-11(8-4-1)21-13(15-17-19-21)23-24-14-16-18-20-22(14)12-9-5-2-6-10-12/h1-10H
(3)InChIKey: CJXASCLMZSMFTL-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C14H10N8S2/c1-3-7-11(8-4-1)21-13(15-17-19-21)23-24-14-16-18-20-22(14)12-9-5-2-6-10-12/h1-10H
(5)Std. InChIKey: CJXASCLMZSMFTL-UHFFFAOYSA-N

Product Name

5,5'-Dithiobis(1-phenyl-1H-tetrazole)

5,5'-Dithiobis(1-phenyl-1H-tetrazole) Specification

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