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| CAS No.: | 5117-07-7 |
|---|---|
| Name: | 5,5'-Dithiobis(1-phenyl-1H-tetrazole) |
| Molecular Structure: | |
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| Formula: | C14H10N8S2 |
| Molecular Weight: | 354.419 |
| Synonyms: | 1H-Tetrazole,5,5-dithiobis[1-phenyl- (7CI);5,5'-Dithiobis(1-phenyl-1H-tetrazole);Bis(1-phenyl-1H-tetrazol-5-yl)disulfide; |
| EINECS: | 225-852-2 |
| Density: | 1.59g/cm3 |
| Melting Point: | 145 °C (dec.)(lit.) |
| Boiling Point: | 618.6 °C at 760 mmHg |
| Flash Point: | 327.9 °C |
| PSA: | 137.80000 |
| LogP: | 2.43740 |
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- Total:33 Page 1 of 1 1
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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, VO3.
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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