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133122-98-2

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Basic Information
CAS No.: 133122-98-2
Name: 5-(Ethylthio)-1H-tetrazole
Molecular Structure:
Molecular Structure of 133122-98-2 (5-(Ethylthio)-1H-tetrazole)
Formula: C3H6N4S
Molecular Weight: 130.17
Synonyms: 1H-Tetrazole, 5-(ethylthio)-;
Density: 1.37 g/cm3
Melting Point: 72-80 °C(lit.)
Boiling Point: 292.3 °C at 760 mmHg
Flash Point: 130.6 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-44
Safety: 26-35
PSA: 79.76000
LogP: 0.31170
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Specification

The 5-Ethylthio tetrazole, with the CAS registry number 133122-98-2, is also known as 1H-Tetrazole, 5-(ethylthio)-. It belongs to the product categories of Sulphur Derivatives; Tetrazoles. This chemical's molecular formula is C3H6N4S and molecular weight is 130.17. Its systematic name is called 5-(ethylsulfanyl)-2H-tetrazole.

Physical properties of 5-Ethylthio tetrazole: (1)ACD/LogP: 0.65; (2)ACD/LogD (pH 5.5): -0.8; (3)ACD/LogD (pH 7.4): -1.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.9; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 31.34 cm3; (13)Molar Volume: 94.8 cm3; (14)Surface Tension: 80.5 dyne/cm; (15)Density: 1.37 g/cm3; (16)Flash Point: 130.6 °C; (17)Enthalpy of Vaporization: 53.18 kJ/mol; (18)Boiling Point: 292.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00184 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. It will have a risk of explosion if heated under confinement. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. This material and its container must be disposed of in a safe way.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1nnnn1)CC
(2)InChI: InChI=1/C3H6N4S/c1-2-8-3-4-6-7-5-3/h2H2,1H3,(H,4,5,6,7)
(3)InChIKey: GONFBOIJNUKKST-UHFFFAOYAB