1H-Tetrazole-5(4H)-thione supplier

Name
1H-Tetrazole-5(4H)-thione
EINECS
CAS No. 18686-81-2
Article Data7
CAS DataBase
Density 2.172 g/cm³
Solubility
Melting Point
Formula CH₂N₄S
Boiling Point 105.866 °C at 760 mmHg
Molecular Weight 102.12
Flash Point 17.828 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Tetrazole-5-thiol;1,2-Dihydro-5H-tetrazole-5-thione;
PSA 88.24000
LogP -1.22480

1H-Tetrazole-5(4H)-thione Specification

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%.

5H-Tetrazole-5-thione,1,2-dihydro- can react with Geranylmethansulfonat to give 5-(3,7-dimethyl-octa-2,6-dienylsulfanyl)-1H-tetrazole.

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

Product Name

1H-Tetrazole-5(4H)-thione

1H-Tetrazole-5(4H)-thione Specification

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