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56531-89-6

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Basic Information
CAS No.: 56531-89-6
Name: 1,2,4-Thiadiazol-3-amine(9CI)
Molecular Structure:
Molecular Structure of 56531-89-6 (1,2,4-Thiadiazol-3-amine(9CI))
Formula: C2H3N3S
Molecular Weight: 101.1303
Synonyms: 1,2,4-Thiadiazol-3-amine(9CI)
Density: 1.495 g/cm3
Melting Point: 100 °C(Solv: ethyl acetate (141-78-6))
Boiling Point: 238.941 °C at 760 mmHg
Flash Point: 98.308 °C
PSA: 80.77000
LogP: 0.05040
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Specification

The CAS registry number of 1,2,4-Thiadiazol-3-amine(9CI) is 56531-89-6. It belongs to the product category of Variousamine. This chemical's molecular formula is C2H3N3S and molecular weight is 101.1303. What's more, its systematic name is called 1,2,4-Thiadiazol-3-amine.

Physical properties about 1,2,4-Thiadiazol-3-amine(9CI) are: (1)ACD/LogP: 0.01; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 14; (6)ACD/KOC (pH 7.4): 14; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 80.04 Å2; (11)Index of Refraction: 1.663; (12)Molar Refractivity: 25.056 cm3; (13)Molar Volume: 67.641 cm3; (14)Surface Tension: 83.652 dyne/cm; (15)Density: 1.495 g/cm3; (16)Flash Point: 98.308 °C; (17)Enthalpy of Vaporization: 47.581 kJ/mol; (18)Boiling Point: 238.941 °C at 760 mmHg; (19)Vapour Pressure: 0.041 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1ncsn1
(2) InChI: InChI=1/C2H3N3S/c3-2-4-1-6-5-2/h1H,(H2,3,5)
(3) InChIKey: WGCAJRHEDWDNDN-UHFFFAOYAF