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CAS No.: | 229643-15-6 |
---|---|
Name: | 2-(IODOMETHYL)-BENZOTHIAZOLE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H6INS |
Molecular Weight: | 275.113 |
Synonyms: | 2-(Iodomethyl)benzothiazole; |
Density: | 1.945 g/cm3 |
Boiling Point: | 311.9 °C at 760 mmHg |
Flash Point: | 142.4 °C |
PSA: | 41.13000 |
LogP: | 3.23130 |
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The CAS register number of Benzothiazole,2-(iodomethyl)- is 229643-15-6. The systematic name about this chemical is 2-(iodomethyl)-1,3-benzothiazole. The molecular formula about this chemical is C8H6INS and the molecular weight is 275.11.
Physical properties about Benzothiazole,2-(iodomethyl)- are: (1)ACD/LogP: 3.45; (2)ACD/LogD (pH 5.5): 3.45; (3)ACD/LogD (pH 7.4): 3.45; (4)ACD/BCF (pH 5.5): 247.43; (5)ACD/BCF (pH 7.4): 247.49; (6)ACD/KOC (pH 5.5): 1798.1; (7)ACD/KOC (pH 7.4): 1798.53; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.13 Å2; (11)Index of Refraction: 1.764; (12)Molar Refractivity: 58.45 cm3; (13)Molar Volume: 141.3 cm3; (14)Polarizability: 23.17x10-24cm3; (15)Surface Tension: 63.5 dyne/cm; (16)Density: 1.945 g/cm3; (17)Flash Point: 142.4 °C; (18)Enthalpy of Vaporization: 53.08 kJ/mol; (19)Boiling Point: 311.9 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: ICc1nc2ccccc2s1
(2)InChI: InChI=1/C8H6INS/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2
(3)InChIKey: JXBONNIKLRSNGF-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H6INS/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2
(5)Std. InChIKey: JXBONNIKLRSNGF-UHFFFAOYSA-N