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CAS No.: | 1457-93-8 |
---|---|
Name: | 5-METHYL-2,1,3-BENZOTHIADIAZOLE |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C7H6N2S |
Molecular Weight: | 150.204 |
Synonyms: | 5-Methyl-2,1,3-benzothiadiazole; |
Density: | 1.297 g/cm3 |
Melting Point: | 31-32 °C |
Boiling Point: | 228.5 °C at 760 mmHg |
Flash Point: | 92.6 °C |
PSA: | 54.02000 |
LogP: | 1.99970 |
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The 2,1,3-Benzothiadiazole,5-methyl-, with the CAS registry number 1457-93-8, is also known as 5-Methylbenzo[c]1,2,5-thiadiazole. This chemical's molecular formula is C7H6N2S and molecular weight is 150.2009. Its systematic name is called 5-methyl-2,1,3-benzothiadiazole.
Physical properties of 2,1,3-Benzothiadiazole,5-methyl-: (1)ACD/LogP: 2.44; (2)ACD/LogD (pH 5.5): 2.44; (3)ACD/LogD (pH 7.4): 2.44; (4)ACD/BCF (pH 5.5): 42.12; (5)ACD/BCF (pH 7.4): 42.12; (6)ACD/KOC (pH 5.5): 506.28; (7)ACD/KOC (pH 7.4): 506.29; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.674; (10)Molar Refractivity: 43.48 cm3; (11)Molar Volume: 115.7 cm3; (12)Surface Tension: 58.5 dyne/cm; (13)Density: 1.297 g/cm3; (14)Flash Point: 92.6 °C; (15)Enthalpy of Vaporization: 44.62 kJ/mol; (16)Boiling Point: 228.5 °C at 760 mmHg; (17)Vapour Pressure: 0.111 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1snc2cc(ccc12)C
(2)InChI: InChI=1/C7H6N2S/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3
(3)InChIKey: XDQJAYFCPRWDOL-UHFFFAOYAN