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49602-28-0

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Basic Information
CAS No.: 49602-28-0
Name: 4-Iodoisothiazole
Molecular Structure:
Molecular Structure of 49602-28-0 (4-Iodoisothiazole)
Formula: C3H2INS
Molecular Weight: 211.0241
Synonyms: 4-Iodoisothiazole
Density: 2.239 g/cm3
Boiling Point: 116.4 °C at 760 mmHg
Flash Point: 24.2 °C
PSA: 41.13000
LogP: 1.74770
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Specification

The CAS registry number of 4-Iodoisothiazole is 49602-28-0. This chemical's molecular formula is C3H2INS and molecular weight is 211.0241. Its systematic name is called 4-iodoisothiazole.

Physical properties of 4-Iodoisothiazole: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): 1.84; (3)ACD/LogD (pH 7.4): 1.84; (4)ACD/BCF (pH 5.5): 14.75; (5)ACD/BCF (pH 7.4): 14.76; (6)ACD/KOC (pH 5.5): 238.95; (7)ACD/KOC (pH 7.4): 239.01; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.68; (10)Molar Refractivity: 35.63 cm3; (11)Molar Volume: 94.2 cm3; (12)Surface Tension: 58.1 dyne/cm; (13)Density: 2.239 g/cm3; (14)Flash Point: 24.2 °C; (15)Enthalpy of Vaporization: 34.01 kJ/mol; (16)Boiling Point: 116.4 °C at 760 mmHg; (17)Vapour Pressure: 21.7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1csnc1
(2)InChI: InChI=1/C3H2INS/c4-3-1-5-6-2-3/h1-2H
(3)InChIKey: ORPLUOOTMBZERD-UHFFFAOYAV