Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Tetrazole-5(4H)-thione |
EINECS | N/A |
CAS No. | 18686-81-2 | Density | 2.172 g/cm3 |
PSA | 88.24000 | LogP | -1.22480 |
Solubility | N/A | Melting Point |
N/A |
Formula | CH2N4S | Boiling Point | 105.866 °C at 760 mmHg |
Molecular Weight | 102.12 | Flash Point | 17.828 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Tetrazole-5-thiol;1,2-Dihydro-5H-tetrazole-5-thione; |
Article Data | 7 |
The 1H-Tetrazole-5(4H)-thione, with CAS registry number of 18686-81-2 is also called 1,2-dihydro-5H-tetrazole-5-thione. Its systematic name is 5H-Tetrazole-5-thione, 1,2-dihydro-. In addition, the formula is CH2N4S and the molecular weight is 102.1184.
Physical properties about 1H-Tetrazole-5(4H)-thione are: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8; (8)ACD/KOC (pH 7.4): 8; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 80.87 Å2; (13)Index of Refraction: 2.041; (14)Molar Refractivity: 24.141 cm3; (15)Molar Volume: 47.021 cm3; (16)Polarizability: 9.57 ×10-24cm3; (17)Surface Tension: 92.933 dyne/cm; (18)Density: 2.172 g/cm3; (19)Flash Point: 17.828 °C; (20)Enthalpy of Vaporization: 34.481 kJ/mol; (21)Boiling Point: 105.866 °C at 760 mmHg; (22)Vapour Pressure: 28.99 mmHg at 25°C.
Uses of 1H-Tetrazole-5(4H)-thione : it can react with Geranylmethansulfonat to give 5-(3,7-dimethyl-octa-2,6-dienylsulfanyl)-1H-tetrazole. This reaction will need reagent NaH and solvent dimethylformamide. The yield is 90%.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C1/N=N\NN1
(2)InChI: InChI=1/CH2N4S/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)
(3)InChIKey: JAAIPIWKKXCNOC-UHFFFAOYAV