CAS No.6461-29-6,2H-[1,2,4]Triazole-3-sulfonyl chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6461-29-6
Name:	2H-[1,2,4]Triazole-3-sulfonyl chloride
Article Data:	5

Formula:	C₂H₂ClN₃O₂S
Molecular Weight:	167.576
Synonyms:	4H-1,2,4-Triazole-3-sulfonyl chloride;1H-1,2,4-Triazole-3-sulfonylchloride (9CI);1,2,4-Triazole-3-sulfonyl chloride;3-Chlorosulfonyl-1,2,4-triazole;
Density:	1.844 g/cm³
Melting Point:	122-124 °C
Boiling Point:	425.191 °C at 760 mmHg
Flash Point:	210.948 °C
PSA:	84.09000
LogP:	0.81300

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Specification

The 1H-1,2,4-Triazole-5-sulfonylchloride, with the CAS registry number 6461-29-6, is also known as 4H-1,2,4-Triazole-3-sulfonyl chloride. This chemical's molecular formula is C₂H₂ClN₃O₂S and molecular weight is 166.96. What's more, its systematic name is called 1H-1,2,4-Triazole-3-sulfonyl chloride.

Physical properties about 1H-1,2,4-Triazole-5-sulfonylchloride are: (1)ACD/LogP: -0.365; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.25; (4)ACD/LogD (pH 7.4): -2.36; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 84.09 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 29.923 cm³; (15)Molar Volume: 90.859 cm³; (16)Polarizability: 11.862×10^-24cm³; (17)Surface Tension: 83.493 dyne/cm; (18)Density: 1.844 g/cm³; (19)Flash Point: 210.948 °C; (20)Enthalpy of Vaporization: 67.98 kJ/mol; (21)Boiling Point: 425.191 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClS(=O)(=O)c1ncnn1
(2) InChI: InChI=1S/C2H2ClN3O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H,4,5,6)
(3) InChIKey: KRGDHNPMWOBKPN-UHFFFAOYSA-N