Benzothiazole,6-methoxy- supplier

Name
6-METHOXY-1,3-BENZOTHIAZOLE
EINECS
CAS No. 2942-13-4
Article Data35
CAS DataBase
Density 1.268 g/cm³
Solubility
Melting Point 72.5-73℃
Formula C₈H₇NOS
Boiling Point 274.4 °C at 760 mmHg
Molecular Weight 165.216
Flash Point 119.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Methoxybenzothiazole;NSC 508406;6-methoxy-1,3-benzothiazole;benzothiazole, 6-methoxy-;
PSA 50.36000
LogP 2.30490

Benzothiazole,6-methoxy- Specification

The Benzothiazole,6-methoxy-, with the CAS registry number 2942-13-4, has the systematic name and IUPAC name of 6-methoxy-1,3-benzothiazole. It belongs to the product category of Benzothiazole. And the molecular formula of the chemical is C₈H₇NOS.

The characteristics of Benzothiazole,6-methoxy- are as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 50.36 Å²; (7)Index of Refraction: 1.645; (8)Molar Refractivity: 47.24 cm³; (9)Molar Volume: 130.2 cm³; (10)Polarizability: 18.73×10^-24cm³; (11)Surface Tension: 49.2 dyne/cm; (12)Density: 1.268 g/cm³; (13)Flash Point: 119.8 °C; (14)Enthalpy of Vaporization: 49.22 kJ/mol; (15)Boiling Point: 274.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00906 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1c2ccc(OC)cc2sc1
(2)InChI: InChI=1/C8H7NOS/c1-10-6-2-3-7-8(4-6)11-5-9-7/h2-5H,1H3
(3)InChIKey: AHOIGFLSEXUWNV-UHFFFAOYAV

Product Name

6-METHOXY-1,3-BENZOTHIAZOLE

Benzothiazole,6-methoxy- Specification

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