2(3H)-Benzothiazolone, 6-methoxy- supplier

Name
6-METHOXY-2(3H)-BENZOTHIAZOLONE
EINECS
CAS No. 40925-65-3
Article Data10
CAS DataBase
Density 1.346 g/cm³
Solubility
Melting Point 163-164 °C
Formula C₈H₇NO₂S
Boiling Point
Molecular Weight 181.215
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Methoxy-2(3H)-benzothiazolone;2-Hydroxy-6-methoxybenzothiazole;6-Methoxybenzothiazol-2(3H)-one;6-Methoxybenzothiazolone;
PSA 70.33000
LogP 1.59820

2(3H)-Benzothiazolone, 6-methoxy- Specification

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

Product Name

6-METHOXY-2(3H)-BENZOTHIAZOLONE

2(3H)-Benzothiazolone, 6-methoxy- Specification

Related Products

Hot Products