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CAS No.: | 40925-65-3 |
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Name: | 6-METHOXY-2(3H)-BENZOTHIAZOLONE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H7NO2S |
Molecular Weight: | 181.215 |
Synonyms: | 6-Methoxy-2(3H)-benzothiazolone;2-Hydroxy-6-methoxybenzothiazole;6-Methoxybenzothiazol-2(3H)-one;6-Methoxybenzothiazolone; |
Density: | 1.346 g/cm3 |
Melting Point: | 163-164 °C |
PSA: | 70.33000 |
LogP: | 1.59820 |
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The 2(3H)-Benzothiazolone, 6-methoxy- is an organic compound with the formula C8H7NO2S. The systematic name of this chemical is 6-methoxy-1,3-benzothiazol-2(3H)-one. With the CAS registry number 40925-65-3, it is also named as 6-Methoxy-3H-benzothiazol-2-one. The product's categories are Benzothiazole; API Intermediates.
Physical properties about 2(3H)-Benzothiazolone, 6-methoxy- are: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): 1.68; (3)ACD/LogD (pH 7.4): 1.67; (4)ACD/BCF (pH 5.5): 11.05; (5)ACD/BCF (pH 7.4): 11.02; (6)ACD/KOC (pH 5.5): 194.26; (7)ACD/KOC (pH 7.4): 193.85; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 63.63 Å2; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 47.52 cm3; (14)Molar Volume: 134.5 cm3; (15)Polarizability: 18.83×10-24cm3; (16)Surface Tension: 49.4 dyne/cm; (17)Density: 1.346 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2NC(=O)Sc2c1
(2)InChI: InChI=1/C8H7NO2S/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)
(3)InChIKey: NMPYQLRSABFZAG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H7NO2S/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)
(5)Std. InChIKey: NMPYQLRSABFZAG-UHFFFAOYSA-N